| 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 24-ID-E |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 24-ID-E |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-10-27 |
Detector _diffrn_detector.type | ADSC QUANTUM 315 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97925 |
| Software | |
Data reduction #1 _software.classification | HKL-2000 |
Data reduction #2 _software.classification | DENZO |
Data scaling #1 _software.classification | HKL-2000 |
Data scaling #2 _software.classification | SCALEPACK |
Phasing #1 _software.classification | PHASER (2.5.7) |
Phasing #2 _software.classification | PARROT |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.8.2_1309) |
| 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} | 156.873 111.284 89.134 90.00 120.46 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97925 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 49.851 | 50.000 | 3.480 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.420 | 9.260 | 3.420 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.184 | 0.089 | 0.652 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.233 | - | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.140 | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 32526 | - | - |
Total number unique _reflns.number_obs | 14420 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 3.80 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 81.5 | 75.5 | 85.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.3 | 2.4 | 2.2 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.971 | 0.503 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5U0U |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-11-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.9 - 3.428 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2536 / 0.2820 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5TQA |