| 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 | 111 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1996-09-15 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction #1 _software.classification | BIOMOL |
Data reduction #2 _software.classification | X-GEN |
Data scaling #1 _software.classification | X-GEN |
Data scaling #2 _software.classification | BIOMOL |
Phasing _software.classification | AMoRE |
Refinement _software.classification | CNS (0.3) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 65.472 74.930 103.691 90.97 93.33 115.94 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 24.350 |
High resolution limit [Å] _reflns.d_resolution_high | 2.990 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.102 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 25373 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.11 |
Completeness [%] _reflns.percent_possible_obs | 70.7 |
Multiplicity _reflns.pdbx_redundancy | 1.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1B3K |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-12-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 24.4 - 2.990 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2470 / 0.2920 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | LATENT PAI-1 |