| 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 | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 291.0 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1997-06-19 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing #1 _software.classification | PHASES (V. 95) |
Phasing #2 _software.classification | DM |
Model building #1 _software.classification | PHASES-95 |
Model building #2 _software.classification | DM |
Refinement _software.classification | CNS |
| 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} | 165.426 71.689 116.924 90.00 132.17 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 23.030 |
High resolution limit [Å] _reflns.d_resolution_high | 2.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.062 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 19147 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 19.10 |
Completeness [%] _reflns.percent_possible_obs | 84.2 |
Multiplicity _reflns.pdbx_redundancy | 2.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1DFC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-11-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1840 / 0.2680 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIR |