| 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 ID23-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID23-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-05-01 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
| Software | |
Data scaling _software.classification | XSCALE (Wolfgang Kabsch) |
Phasing _software.classification | PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk) |
Refinement #1 _software.classification | BUSTER-TNT (BUSTER 2.8.0; Gerard Bricogne; buster-develop@GlobalPhasing.com) |
Refinement #2 _software.classification | BUSTER (2.8.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 124.75 153.55 133.87 90.00 94.57 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.07620 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 35.000 |
High resolution limit [Å] _reflns.d_resolution_high | 7.800 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.128 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 5656 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.08 |
Completeness [%] _reflns.percent_possible_obs | 96.6 |
Multiplicity _reflns.pdbx_redundancy | 3.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3QS9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-02-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 35.0 - 7.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.3367 / 0.3462 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRIES 1ETE,2E9W,3QS7 |