| 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 | DIAMOND BEAMLINE I04 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-04-24 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.98 |
| Software | |
Data reduction _software.classification | DIALS |
Data scaling _software.classification | autoPROC |
Phasing _software.classification | MrBUMP |
Refinement _software.classification | REFMAC (5.8.0232) |
| 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} | 76.014 93.632 95.830 90.00 95.46 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 95.400 | 2.690 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.440 | 2.440 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.086 | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 33806 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.60 | - |
Completeness [%] _reflns.percent_possible_obs | 91.8 | - |
Multiplicity _reflns.pdbx_redundancy | 4.4 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6HZO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-10-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 95.4 - 2.440 Å |
R _refine.ls_R_factor_obs | 0.2237 |
Rwork _refine.ls_R_factor_R_work | 0.2237 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4BJP |