| 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 RU200 |
Temperature [K] _diffrn.ambient_temp | 290.00 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1992-02 |
Detector _diffrn_detector.type | SDMS |
| Software | |
Data reduction _software.classification | SDMS (DETECTOR SYSTEM) |
Data scaling _software.classification | SDMS (DETECTOR SYSTEM) |
Phasing #1 _software.classification | HEAVY |
Phasing #2 _software.classification | BRICOGNE'S (GENERATE) |
Phasing #3 _software.classification | INTERPOLATE |
Phasing #4 _software.classification | TNT |
Model building #1 _software.classification | BRICOGNE'S (GENERATE) |
Model building #2 _software.classification | INTERPOLATE |
Model building #3 _software.classification | HEAVY |
Refinement #1 _software.classification | X-PLOR (3.843) |
Refinement #2 _software.classification | TNT |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 174.27 191.77 202.50 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 30.000 | 1.940 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.810 | 1.810 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.pdbx_Rsym_value | 0.091 | 0.199 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 271689 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 89.0 | 63.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 8.2 | 2.1 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1A34 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-01-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.0 - 1.810 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1790 / 0.1840 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIR, MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | MODIFIED STNV |