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 | PHOTON FACTORY BEAMLINE AR-NE3A The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Photon Factory Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | AR-NE3A 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 270 The make, model or name of the detector device used. |
Software | |
Data collection _software.classification | ADSC (Quantum) 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 | HKL-2000 The classification of the program according to its |
Phasing _software.classification | PHASES The classification of the program according to its |
Refinement _software.classification | REFMAC (5.5.0072) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 63 2 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 161.781 Unit-cell length a corresponding to the structure reported in 161.781 Unit-cell length b corresponding to the structure reported in 87.725 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 | NA |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 The largest value in angstroms for the interplanar spacings | 2.900 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.800 The smallest value in angstroms for the interplanar spacings | 2.800 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 16976 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 | 98.6 The percentage of geometrically possible reflections represented | 99.4 The percentage of geometrically possible reflections represented |
Multiplicity | - | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 3VUL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2012-07-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 33.8 - 2.810 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2487 / 0.3150 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |