| 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 | MACSCIENCE |
Temperature [K] _diffrn.ambient_temp | 278.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-09-25 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data collection _software.classification | MAR345 |
Data reduction _software.classification | AUTOMAR |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR (3.851) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 46.3 46.3 72.6 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 23.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.054 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 1781 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 43.10 |
Completeness [%] _reflns.percent_possible_obs | 97.7 |
Multiplicity _reflns.pdbx_redundancy | 3.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1QPH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-05-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.0 - 2.500 Å |
R _refine.ls_R_factor_obs | 0.2250 |
Rwork _refine.ls_R_factor_R_work | 0.2250 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | RIGID BODY REFINEMENT |
Starting model _refine.pdbx_starting_model | NDB ID ADL045 |