Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Source type _diffrn_source.source | ROTATING ANODE The general class of the radiation source. |
Source details _diffrn_source.type | RIGAKU RUH2R The make, model or name of the source of radiation. |
Temperature [K] _diffrn.ambient_temp | 277 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | IMAGE PLATE The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 1996-02 The date of data collection. |
Detector _diffrn_detector.type | MARRESEARCH The make, model or name of the detector device used. |
Software | |
Data reduction #1 _software.classification | ROTAVATA The classification of the program according to its |
Data reduction #2 _software.classification | Agrovata The classification of the program according to its |
Data reduction #3 _software.classification | XDS The classification of the program according to its |
Data scaling #1 _software.classification | XDS The classification of the program according to its |
Data scaling #2 _software.classification | CCP4 (AGROVATA The classification of the program according to its |
Data scaling #3 _software.classification | ROTAVATA The classification of the program according to its |
Phasing _software.classification | X-PLOR (3.851) The classification of the program according to its |
Model building _software.classification | X-PLOR (3.851) The classification of the program according to its |
Refinement _software.classification | X-PLOR (3.851) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 31.13 Unit-cell length a corresponding to the structure reported in 95.23 Unit-cell length b corresponding to the structure reported in 65.70 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 | 1.54180 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 10.000 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 | 0.046 The R sym value as a decimal number. |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 5370 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 96.1 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 6.1 Overall redundancy for this data set. |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 1BXM |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-10-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.150 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1890 / 0.2290 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | THE REFINED 2.2 ANGSTROMS RESOLUTION STRUCTURE OF THE WILD-TYPE BETA-CRYPTOGEIN (1BEO). THE ERGOSTEROL MOLECULE WAS CONSTRUCTED USING, AS A TEMPLATE, THE COORDINATES OF THE CHOLESTERYL LINOLEATE MOLECULE COMPLEXED TO THE CHOLESTEROL ESTERASE (1CLE). |