| 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 | ESRF BEAMLINE ID29 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID29 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-09-26 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.000 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | PHENIX |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.14_3260: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 154.113 154.113 127.619 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 108.974 |
High resolution limit [Å] _reflns.d_resolution_high | 2.771 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.107 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.115 |
Rpim _reflns.pdbx_Rpim_I_all | 0.040 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 19813 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 16.22 |
Completeness [%] _reflns.percent_possible_obs | 99.8 |
Multiplicity _reflns.pdbx_redundancy | 7.9 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6QAC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-12-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 55.1 - 2.771 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1841 / 0.2550 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1p0i |