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 | MPG/DESY, HAMBURG BEAMLINE BW6 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | MPG/DESY, HAMBURG Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BW6 Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 70 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 | 1999-11-29 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 | 1.06 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 #1 _software.classification | SHELXS The classification of the program according to its |
Phasing #2 _software.classification | MLPHARE The classification of the program according to its |
Phasing #3 _software.classification | SHARP The classification of the program according to its |
Phasing #4 _software.classification | DM The classification of the program according to its |
Model building _software.classification | DM The classification of the program according to its |
Refinement _software.classification | CNS (1.0) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 72.6 Unit-cell length a corresponding to the structure reported in 113.5 Unit-cell length b corresponding to the structure reported in 193.9 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. 90.0 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.07000 The radiation wavelength in angstroms. 1.00500 The radiation wavelength in angstroms. 1.00900 The radiation wavelength in angstroms. 1.73300 The radiation wavelength in angstroms. 1.74000 The radiation wavelength in angstroms. 1.06000 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 | 30.000 The largest value in angstroms for the interplanar spacings | 1.660 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.600 The smallest value in angstroms for the interplanar spacings | 1.600 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value | 0.063 The R sym value as a decimal number. | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 196086 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 | 92.6 The percentage of geometrically possible reflections represented | 80.5 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 3.3 Overall redundancy for this data set. | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 1JNR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-07-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.6 - 1.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1800 / 0.2020 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD/MIR |