| 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 | SSRF BEAMLINE BL18U1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL18U1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2014-12-23 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97876 |
| Software | |
Data collection _software.classification | HKL-3000 |
Data processing _software.classification | HKL-3000 |
Data scaling #1 _software.classification | HKL-3000 |
Data scaling #2 _software.classification | HKL |
Phasing _software.classification | PHENIX (1.9_1692) |
Refinement _software.classification | PHENIX (1.9_1692) |
| 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} | 49.231 87.824 87.120 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97876 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.100 | 4.520 | 2.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.129 | 0.058 | 0.619 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.141 | 0.063 | 0.683 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.055 | 0.025 | 0.283 |
Total number of observations _reflns.pdbx_number_measured_all | 139163 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 22462 | 2461 | 2099 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.20 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.1 | 99.7 | 93.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 6.2 | 6.0 | 5.2 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.996 | 0.842 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5H65 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-11-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.9 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1960 / 0.2481 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |