| 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 | APS BEAMLINE 22-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 22-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-04-25 |
Detector _diffrn_detector.type | RAYONIX MX300-HS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.8266 |
| Software | |
Data collection _software.classification | HKL-2000 |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | SOLVE |
Refinement _software.classification | PHENIX (1.8.4_1496) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 48.742 48.742 50.421 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.82660 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 50.000 | 0.860 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.850 | 2.310 | 0.850 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.048 | - | 0.933 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.049 | - | 0.968 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.009 | 0.008 | 0.443 |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 202939 | 5282 | 5067 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.30 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.6 | 100.0 | 97.8 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 16.1 | 34.3 | 8.6 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 1.000 | 0.574 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6Q00 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-08-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 28.5 - 0.850 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.0949 / 0.1118 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |