| 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 | SLS BEAMLINE X10SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X10SA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-12-17 |
Detector _diffrn_detector.type | PSI PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.99994 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER |
Refinement _software.classification | REFMAC (5) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 48.389 68.802 82.866 90.00 102.92 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99994 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.760 |
High resolution limit [Å] _reflns.d_resolution_high | 1.850 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.037 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.044 |
| Rpim | - |
Total number of observations _reflns.pdbx_number_measured_all | 152690 |
Total number unique _reflns.number_obs | 45136 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 20.60 |
Completeness [%] _reflns.percent_possible_obs | 99.4 |
Multiplicity _reflns.pdbx_redundancy | 3.4 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5NU1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-04-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.8 - 1.850 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2350 / 0.2561 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5NTI |