| 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 | 298 |
Collection date _diffrn_detector.pdbx_collection_date | 1995-04-24 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction #1 _software.classification | CCP4 |
Data reduction #2 _software.classification | XDS |
Data scaling #1 _software.classification | XDS |
Data scaling #2 _software.classification | CCP4 |
Phasing #1 _software.classification | SHELXL-93 |
Phasing #2 _software.classification | X-PLOR (3.1) |
Model building #1 _software.classification | SHELXL-93 |
Model building #2 _software.classification | X-PLOR (3.1) |
Refinement #1 _software.classification | SHELXL-93 |
Refinement #2 _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} | 40.96 52.57 50.47 90.00 100.43 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 | 25.300 | 1.590 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.550 | 1.550 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.075 | 0.354 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 26211 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.70 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 83.9 | 30.7 |
Multiplicity _reflns.pdbx_redundancy | 3.1 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1YNA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-08-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.3 - 1.550 Å |
R _refine.ls_R_factor_obs | 0.1930 WARNING: neither Rwork nor Rfree given |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |