| 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 | CHESS BEAMLINE A1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CHESS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | A1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2005-04-23 |
Detector _diffrn_detector.type | ADSC QUANTUM 210 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.99 |
| Software | |
Data collection _software.classification | HKL-2000 |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | SOLVE |
Refinement _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 38.740 38.740 161.327 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 8.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.600 |
Rmerge _reflns.pdbx_Rsym_value | 0.035 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 11667 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 98.5 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3BSE |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2007-12-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.600 Å |
R _refine.ls_R_factor_obs | 0.2210 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2740 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |