| 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 | SSRL BEAMLINE BL14-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL14-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-06-01 |
Detector _diffrn_detector.type | MARMOSAIC 325 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.18 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.10_2155: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 46.737 46.737 124.638 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.18000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 44.000 | 2.200 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.140 | 2.140 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.053 | 1.318 |
| Rmeas | - | - |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.367 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 8129 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 53.90 | - |
Completeness [%] _reflns.percent_possible_obs | 98.7 | - |
Multiplicity _reflns.pdbx_redundancy | 13.8 | - |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.699 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5V1A |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-03-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.8 - 2.140 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2345 / 0.2782 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3N4S |