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 | APS BEAMLINE 22-ID The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 22-ID 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 | 2002-12-08 The date of data collection. |
Detector _diffrn_detector.type | MARRESEARCH The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.02466 Comma separated list of wavelengths or wavelength range. |
Software | |
Data collection _software.classification | HKL-2000 The classification of the program according to its |
Data reduction _software.classification | HKL-2000 The classification of the program according to its |
Data scaling _software.classification | SCALEPACK The classification of the program according to its |
Phasing _software.classification | CNS The classification of the program according to its |
Refinement _software.classification | CNS The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 128.15 Unit-cell length a corresponding to the structure reported in 128.15 Unit-cell length b corresponding to the structure reported in 272.30 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 | 1.02466 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 30.000 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value | 0.084 The R sym value as a decimal number. |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 49672 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 54.70 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 97.1 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 13.5 Overall redundancy for this data set. |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 1P3R |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2003-04-18 |