Experiment | |
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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 | NSLS BEAMLINE X8C The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X8C 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 | 2002-06-04 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 | 1.1000 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 | DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) The classification of the program according to its |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) The classification of the program according to its |
Phasing _software.classification | EPMR The classification of the program according to its |
Refinement _software.classification | CNS (Axel T. Brunger; axel.brunger@yale.edu) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 59.761 Unit-cell length a corresponding to the structure reported in 59.761 Unit-cell length b corresponding to the structure reported in 95.005 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. 120.0 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.10000 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 100.000 The largest value in angstroms for the interplanar spacings | 1.860 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.800 The smallest value in angstroms for the interplanar spacings | 1.800 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.081 The R sym value as a decimal number. | 0.434 R sym value in percent. |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 18745 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 20.40 The mean of the ratio of the intensities to their | 4.20 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 The percentage of geometrically possible reflections represented | 100.0 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 11.2 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 2NTH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2006-11-07 |