| 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 | SSRL BEAMLINE BL7-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL7-1 |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-10-04 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | CCP4 (ALMN |
Phasing #2 _software.classification | TFFC |
Phasing #3 _software.classification | RAVE |
Model building #1 _software.classification | ALMN |
Model building #2 _software.classification | TFFC (CCP4 PACKAGE) |
Model building #3 _software.classification | RAVE |
Refinement _software.classification | CNS (0.1) |
| 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} | 173.46 182.45 241.33 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.08000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 10000.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.131 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 117928 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.00 |
Completeness [%] _reflns.percent_possible_obs | 77.1 |
Multiplicity _reflns.pdbx_redundancy | 2.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2BCC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-09-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 12.0 - 3.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2840 / 0.3170 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT USING NATIVE STRUCTURE SOLVED BY THE SAME AUTHOR |
Starting model (for MR) _refine.pdbx_starting_model | PDB 1BCC |