Experiment | |
---|---|
Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH SINGLE WAVELENGTH, LAUE, or MAD. |
Source type _diffrn_source.source | SYNCHROTRON The general class of the radiation source. |
Source details _diffrn_source.type | ESRF BEAMLINE ID14-2 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID14-2 Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 100 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | CCD The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 2005-04-28 The date of data collection. |
Detector _diffrn_detector.type | ADSC QUANTUM 4 The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.933 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | MOSFLM (6.2.4) The classification of the program according to its |
Data scaling _software.classification | SCALA (3.2.5) The classification of the program according to its |
Refinement _software.classification | BUSTER (2.11.2) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 39.43 Unit-cell length a corresponding to the structure reported in 86.63 Unit-cell length b corresponding to the structure reported in 40.27 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 93.49 Unit-cell angle beta of the reported structure in degrees. 90.00 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.93300 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | InnerShell | OuterShell |
---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 29.128 The largest value in angstroms for the interplanar spacings | 29.463 The highest value in angstroms for the interplanar spacings | 1.320 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.250 The smallest value in angstroms for the interplanar spacings | 3.950 The smallest value in angstroms for the interplanar spacings | 1.250 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.049 The R value for merging intensities satisfying the observed | 0.031 The value of Rmerge(I) for reflections classified as 'observed' | 0.485 The value of Rmerge(I) for reflections classified as 'observed' |
Rmeas | - | - | - |
Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 267412 Total number of measured reflections. | 8275 The total number of reflections measured for this | 35693 The total number of reflections measured for this |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 74248 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 2364 The total number of measured reflections which are symmetry- | 10709 The total number of measured reflections which are symmetry- |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 13.80 The mean of the ratio of the intensities to their | 18.50 The ratio of the mean of the intensities of the reflections | 1.50 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.8 The percentage of geometrically possible reflections represented | 98.7 The percentage of geometrically possible reflections represented | 98.8 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.6 Overall redundancy for this data set. | 3.5 Redundancy for the current shell. | 3.3 Redundancy for the current shell. |
CC(1/2) | - | - | - |
Refinement | |
---|---|
PDB entry ID _entry.id | 4YJR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-03-03 |