| 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 | ENRAF-NONIUS FR571 |
Temperature [K] _diffrn.ambient_temp | 140 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1999-10-21 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data collection _software.classification | MADNESS |
Data reduction _software.classification | MADNESS |
Data scaling #1 _software.classification | SCALA |
Data scaling #2 _software.classification | CCP4 (SCALA) |
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 | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 70.036 42.652 52.559 90.00 94.18 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 11.000 | 1.700 |
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 | 0.050 | 0.160 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 31409 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.50 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 87.0 | 76.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 1.6 | 1.5 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1EQD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2000-04-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 11.0 - 1.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2000 / 0.2600 |