| 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 | ESRF BEAMLINE BM02 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BM02 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1996-03 |
Detector _diffrn_detector.type | PRINCETON 2K |
| 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 |
Refinement _software.classification | X-PLOR (3.854) |
| 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} | 84.8 144.9 203.0 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.07040 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 | 2.490 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.310 | 2.310 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.082 | 0.119 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 75568 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.40 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 68.1 | 28.2 |
Multiplicity _reflns.pdbx_redundancy | 3.2 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1B0P |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-11-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 2.310 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1990 / 0.2710 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |