Experiment | |
---|---|
Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD 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 ID29 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 | ID29 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 | 2004-02-01 The date of data collection. |
Detector _diffrn_detector.type | ADSC QUANTUM 210 The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97917, 0.97927 Comma separated list of wavelengths or wavelength range. |
Software | |
Data collection _software.classification | ADSC (QUANTUM) The classification of the program according to its |
Data reduction _software.classification | XDS The classification of the program according to its |
Data scaling _software.classification | XSCALE The classification of the program according to its |
Phasing #1 _software.classification | SHELXD The classification of the program according to its |
Phasing #2 _software.classification | SHARP The classification of the program according to its |
Phasing #3 _software.classification | SOLVE The classification of the program according to its |
Refinement _software.classification | REFMAC (5.2.0000) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 110.84 Unit-cell length a corresponding to the structure reported in 212.56 Unit-cell length b corresponding to the structure reported in 150.56 Unit-cell length c corresponding to the structure reported in 90.0 Unit-cell angle alpha of the reported structure in degrees. 90.0 Unit-cell angle beta of the reported structure in degrees. 90.0 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.93400 The radiation wavelength in angstroms. 0.97917 The radiation wavelength in angstroms. 0.97927 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | OuterShell |
---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 The largest value in angstroms for the interplanar spacings | 2.030 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.960 The smallest value in angstroms for the interplanar spacings | 1.960 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.007 The R sym value as a decimal number. | 0.511 R sym value in percent. |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 116008 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 91.3 The percentage of geometrically possible reflections represented | 56.5 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 5.0 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
---|---|
PDB entry ID _entry.id | 2I4L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2006-08-22 |