| 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 |
Temperature [K] _diffrn.ambient_temp | 291 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-08-15 |
Detector _diffrn_detector.type | MACSCIENCE |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | PHASES |
Phasing #2 _software.classification | MLPHARE |
Phasing #3 _software.classification | SHARP |
Phasing #4 _software.classification | DM |
Model building _software.classification | DM |
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} | 45.82 164.75 52.16 90.0 97.5 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 | 2.800 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.700 | 2.700 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.064 | 0.127 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 18909 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 16.40 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 90.1 | 92.3 |
Multiplicity _reflns.pdbx_redundancy | 2.4 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BT1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-09-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1680 / 0.2560 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIR |