| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | LURE BEAMLINE D41A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | LURE |
Beamline _diffrn_source.pdbx_synchrotron_beamline | D41A |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-06-01 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction _software.classification | IPMOSFLM |
Data scaling _software.classification | ABSCALE |
Phasing _software.classification | AMoRE (J. NAVAZA) |
Refinement _software.classification | SHELXL-93 |
| 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} | 26.25 36.82 53.23 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 14.500 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rsym_value | 0.046 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 3534 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.40 |
Completeness [%] _reflns.percent_possible_obs | 94.6 |
Multiplicity _reflns.pdbx_redundancy | 3.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 272D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-07-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.000 Å |
R _refine.ls_R_factor_obs | 0.2090 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 |