| 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 | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2013-06-06 |
Detector _diffrn_detector.type | Bruker Platinum 135 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.541 |
| Software | |
Data collection _software.classification | PROTEUM PLUS |
Data processing _software.classification | SAINT |
Data scaling _software.classification | PROTEUM PLUS (3.11) |
Phasing _software.classification | PHASER |
Model building _software.classification | PHASER |
Refinement _software.classification | PHENIX (phenix.refine: 1.8.4_1496) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 42.973 48.288 67.429 108.07 92.86 111.83 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54100 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.789 |
High resolution limit [Å] _reflns.d_resolution_high | 2.200 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.059 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 21267 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.19 |
Completeness [%] _reflns.percent_possible_obs | 89.2 |
Multiplicity _reflns.pdbx_redundancy | 1.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4PH6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2014-05-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.8 - 2.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1854 / 0.2548 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3J3S |