| 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 | ALBA BEAMLINE XALOC |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALBA |
Beamline _diffrn_source.pdbx_synchrotron_beamline | XALOC |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-05-19 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 S 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.0330 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling #1 _software.classification | Aimless |
Data scaling #2 _software.classification | autoPROC |
Phasing _software.classification | AutoSol (1.13_2998) |
Model building #1 _software.classification | PHENIX (1.13_2998) |
Model building #2 _software.classification | Coot (0.8.9.1) |
Refinement _software.classification | PHENIX (1.13_2998) |
| 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} | 67.851 54.622 103.032 90.000 108.818 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.03300 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 97.530 | 2.787 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.690 | 2.691 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.140 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.168 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.091 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 20115 | 1946 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.61 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.9 | 96.7 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.3 | 3.1 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.989 | 0.745 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6RNS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-05-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 64.2 - 2.690 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2336 / 0.2645 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |