| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | SIEMENS |
Temperature [K] _diffrn.ambient_temp | 110 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1998-06-03 |
Detector _diffrn_detector.type | RIGAKU RAXIS IIC |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | CNS |
Phasing #2 _software.classification | SHELX |
Model building _software.classification | SHELX |
Refinement #1 _software.classification | SHELXL-97 |
Refinement #2 _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 34.511 37.298 37.067 90.00 113.12 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 40.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.038 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9239 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 84.2 |
Multiplicity _reflns.pdbx_redundancy | 2.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1B8L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-02-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 40.0 - 1.700 Å |
R _refine.ls_R_factor_obs | 0.1678 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2274 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5CPV, AUTH A.L.SWAIN,R.H.KRETSINGER, E.L.AMMA |