| 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 | APS BEAMLINE 31-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 31-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-12-12 |
Detector _diffrn_detector.type | RAYONIX MX-225 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | MOLREP |
Model building _software.classification | Coot |
Refinement #1 _software.classification | BUSTER (2.11.5) |
Refinement #2 _software.classification | ROVERSI |
Refinement #3 _software.classification | SHARFF |
Refinement #4 _software.classification | SMART |
Refinement #5 _software.classification | VONRHEIN |
Refinement #6 _software.classification | MATTHEWS |
Refinement #7 _software.classification | TRONRUD |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 112.78 219.08 107.13 90.00 101.91 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 39.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.790 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.069 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 62453 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.20 |
Completeness [%] _reflns.percent_possible_obs | 98.8 |
Multiplicity _reflns.pdbx_redundancy | 3.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4P71 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2014-03-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.0 - 2.790 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1913 / 0.2273 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB entry 2rhq |