| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ELLIOTT GX-21 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-10 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction #1 _software.classification | MOSFLM |
Data reduction #2 _software.classification | CCP4 (PROGRAMS SCALA) |
Data reduction #3 _software.classification | Agrovata |
Data reduction #4 _software.classification | TRUNCATE |
Data scaling #1 _software.classification | CCP4 (AGROVATA |
Data scaling #2 _software.classification | TRUNCATE |
Data scaling #3 _software.classification | SCALA |
Phasing #1 _software.classification | MAMA |
Phasing #2 _software.classification | X-PLOR (3.1) |
Model building #1 _software.classification | MAMA |
Model building #2 _software.classification | X-PLOR (3.1) |
Refinement _software.classification | X-PLOR (3.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 70.77 56.35 111.60 90.00 104.38 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 25.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.086 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 14328 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.50 |
Completeness [%] _reflns.percent_possible_obs | 90.7 |
Multiplicity _reflns.pdbx_redundancy | 3.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BMO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-03-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 3.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2620 / 0.3220 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT AND 2-FOLD NCS AVERAGING |
Starting model (for MR) _refine.pdbx_starting_model | BM-40 EC DOMAIN (PDB ENTRY 1SRA) |