| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | SIEMENS |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-03-10 |
Detector _diffrn_detector.type | RIGAKU |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing #1 _software.classification | SHELXL-96 |
Phasing #2 _software.classification | X-PLOR (3.851) |
Model building #1 _software.classification | SHELXL-96 |
Model building #2 _software.classification | X-PLOR (3.851) |
Refinement #1 _software.classification | SHELXL-96 |
Refinement #2 _software.classification | X-PLOR (3.851) |
| 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} | 64.453 29.444 35.328 90.00 106.32 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 | 30.000 | 1.800 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.044 | 0.244 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 11674 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 32.70 | 6.40 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 80.1 | 73.1 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.1 | 2.5 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1HJT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-06-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 5.0 - 1.700 Å |
R _refine.ls_R_factor_obs | 0.1617 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2515 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |
Starting model _refine.pdbx_starting_model | PDB ENTRY 1YOI |