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 | ESRF BEAMLINE ID14-4 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 | ID14-4 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 | 2002-04-07 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 | 0.9393 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | DENZO The classification of the program according to its |
Data scaling _software.classification | SCALEPACK The classification of the program according to its |
Phasing _software.classification | AMoRE The classification of the program according to its |
Refinement _software.classification | X-PLOR The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 58.097 Unit-cell length a corresponding to the structure reported in 60.801 Unit-cell length b corresponding to the structure reported in 61.232 Unit-cell length c corresponding to the structure reported in 80.73 Unit-cell angle alpha of the reported structure in degrees. 81.36 Unit-cell angle beta of the reported structure in degrees. 62.01 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.93930 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 | 1.880 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns_shell.d_res_high | - | 1.800 The smallest value in angstroms for the interplanar spacings |
- | - | |
Rmerge | - | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique | - | - |
<I/σ(I)> | - | - |
Completeness [%] _reflns_shell.percent_possible_all | - | 77.0 The percentage of geometrically possible reflections represented |
Multiplicity | - | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 2AA1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-07-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 1.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1860 / 0.2200 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1HBH |