| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | HILGER-WATTS 1.2KW |
Temperature [K] _diffrn.ambient_temp | 293.0 |
Detector technology _diffrn_detector.detector | Y290 SCINTILLATION COUNTER |
Collection date _diffrn_detector.pdbx_collection_date | 1983-01-01 |
Detector _diffrn_detector.type | HILGER-WATTS |
| Software | |
Data reduction _software.classification | ON-LINE (CENTROID INTEGRATION) |
Data scaling _software.classification | HRS |
Phasing _software.classification | CCP4 |
Refinement _software.classification | SHELXL-97 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 34.18 32.92 28.45 90.00 105.26 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54178 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 27.450 |
High resolution limit [Å] _reflns.d_resolution_high | 0.990 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.060 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 17058 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 94.7 |
Multiplicity _reflns.pdbx_redundancy | 3.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2BF9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-12-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.4 - 0.990 Å |
R _refine.ls_R_factor_obs | 0.1368 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.1794 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |