| 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 |
Collection date _diffrn_detector.pdbx_collection_date | 2010-07-02 |
| Software | |
Data reduction _software.classification | MOSFLM |
Refinement _software.classification | BUSTER (2.11.5) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 149.874 149.874 199.701 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97500 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 119.870 |
High resolution limit [Å] _reflns.d_resolution_high | 2.480 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.060 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 40264 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 33.40 |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 12.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4URX |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2014-07-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 59.9 - 2.490 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1937 / 0.2265 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1BKD |