| 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 19-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 19-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-03-09 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 R CdTe 300K |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.03316 |
| Software | |
Data reduction #1 _software.classification | HKL-2000 |
Data reduction #2 _software.classification | DENZO |
Data scaling #1 _software.classification | HKL-2000 |
Data scaling #2 _software.classification | SCALEPACK |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX |
| 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} | 151.995 163.666 197.782 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03316 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 50.000 | 4.350 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 4.200 | 9.030 | 4.200 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.172 | 0.106 | 0.669 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.183 | 0.112 | 0.740 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.060 | 0.036 | 0.299 |
Total number of observations _reflns.pdbx_number_measured_all | 280372 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 35874 | 3943 | 3024 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.60 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 96.1 | 99.6 | 82.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 7.8 | 9.7 | 4.4 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.974 | 0.489 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5UH8 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-01-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.6 - 4.176 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2007 / 0.2569 |