| 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 | BRUKER AXS MICROSTAR |
Temperature [K] _diffrn.ambient_temp | 113 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-10-05 |
Detector _diffrn_detector.type | Bruker Platinum 135 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | SAINT (V7.34A) |
Data scaling _software.classification | SAINT (V7.34A) |
Phasing #1 _software.classification | PHASER (2.1.4; Fri Aug 21 18:08:38 2009; Randy J. Read; cimr-phaser@lists.cam.ac.uk) |
Phasing #2 _software.classification | DM (6.1; Kevin Cowtan; kowtan@ysbl.york.ac.uk) |
Refinement _software.classification | REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| 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} | 82.199 41.542 66.705 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 51.800 | 51.800 | 1.957 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.350 | 4.071 | 1.890 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.197 | 0.111 | 0.841 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
| Total number unique | - | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 196.43 | - | - |
Completeness [%] _reflns.percent_possible_obs | 98.8 | - | - |
Multiplicity _reflns.pdbx_redundancy | 9.2 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3SWL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-07-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 51.8 - 2.350 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2423 / 0.3378 |
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 |