| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ELLIOTT GX-18 |
Temperature [K] _diffrn.ambient_temp | 297 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-12 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data collection _software.classification | XENGEN |
Data reduction _software.classification | XENGEN |
Data scaling _software.classification | XENGEN |
Phasing #1 _software.classification | AMoRE |
Phasing #2 _software.classification | PHASES |
Refinement #1 _software.classification | XTALVIEW |
Refinement #2 _software.classification | X-PLOR (3.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 64.393 85.828 112.901 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.270 |
Rmerge _reflns.pdbx_Rsym_value | 0.073 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 26432 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 21.00 |
Completeness [%] _reflns.percent_possible_obs | 90.0 |
Multiplicity _reflns.pdbx_redundancy | 2.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1TFH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-04-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2170 / 0.2970 |
Structure solution method _refine.pdbx_method_to_determine_struct | MULTIPLE ISOMORPHOUS REPLACEMENT + MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | C ALPHA COORDINATES OF PDB ENTRY 1BOY |