| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH2R |
Temperature [K] _diffrn.ambient_temp | 287 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-03-15 |
Detector _diffrn_detector.type | RIGAKU RAXIS IIC |
| Software | |
Data collection _software.classification | PROCESS |
Data reduction _software.classification | PROCESS |
Data scaling _software.classification | PROCESS |
Phasing _software.classification | SHAKE-N-BAKE |
Model building _software.classification | SHAKE-N-BAKE |
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} | 14.9 14.6 22.6 90.00 100.29 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 | 22.000 | 1.200 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.100 | 1.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.072 | 0.335 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 3597 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 13.64 | 4.23 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 84.2 | 54.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 7.6 | 6.8 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1NOT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-05-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 1.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1780 / 0.2220 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIRECT METHODS |