| 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 | 293 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1997-12-28 |
Detector _diffrn_detector.type | BRUKER SMART |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling #1 _software.classification | SAINT |
Data scaling #2 _software.classification | SADABS |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | SHELXL-97 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 24.913 34.153 61.296 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.71070 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 8.000 | 1.657 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.600 | 1.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.092 | 0.459 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 7321 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs | 99.3 | - |
Multiplicity _reflns.pdbx_redundancy | 5.0 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 443D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-01-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.600 Å |
R _refine.ls_R_factor_obs | 0.1580 WARNING: neither Rwork nor Rfree given |