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 | PAL/PLS BEAMLINE 6C1 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PAL/PLS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 6C1 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. |
Detector _diffrn_detector.type | ADSC QUANTUM 210r The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.23985 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 | DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com) The classification of the program according to its |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com) The classification of the program according to its |
Refinement _software.classification | CNS (1.21; 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 1 21 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 93.098 Unit-cell length a corresponding to the structure reported in 174.894 Unit-cell length b corresponding to the structure reported in 154.300 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 99.26 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 | 1.23985 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 50.000 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 2.590 The smallest value in angstroms for the interplanar spacings |
Rmerge | - |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 140969 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> | - |
Completeness [%] | - |
Multiplicity | - |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 4E2S |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2012-03-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 50.0 - 2.590 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2094 / 0.2708 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |