| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Method _exptl.method | NEUTRON DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | NUCLEAR REACTOR |
Source details _diffrn_source.type | FRM II BEAMLINE BIODIFF |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | FRM II |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BIODIFF |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2018-02-12 |
Detector _diffrn_detector.type | BIODIFF |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 3.99 |
| Software | |
Data reduction #1 _software.classification | XDS |
Data reduction #2 _software.classification | HKL-2000 |
Data scaling #1 _software.classification | XSCALE |
Data scaling #2 _software.classification | SCALEPACK |
Phasing _software.classification | MOLREP |
Refinement _software.classification | PHENIX (1.8_1069) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 36.763 47.101 79.052 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.000003.99000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 40.500 | 1.900 | 1.350 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.300 | 1.850 | 1.300 |
| Rmerge | - | - | - |
| Rmeas | - | - | - |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.022 | 0.294 | 0.171 |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs | 33279 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 18.90 | - | - |
Completeness [%] _reflns.percent_possible_obs | 96.5 | - | - |
Multiplicity _reflns.pdbx_redundancy | 6.1 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6AJZ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-08-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.3 - 1.847 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2039 / 0.2346 |