| 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 | SSRL BEAMLINE BL7-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL7-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2013-05-13 |
Detector _diffrn_detector.type | MAR scanner 345 mm plate |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97530 |
| Software | |
Data reduction #1 _software.classification | MOSFLM |
Data reduction #2 _software.classification | MOSFLM |
Data scaling #1 _software.classification | Aimless |
Data scaling #2 _software.classification | Aimless |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.7.1_743) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 114.14 114.14 67.84 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97530 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 57.070 | 57.070 | 2.830 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.700 | 8.960 | 2.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.185 | 0.071 | 0.680 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.195 | 0.075 | 0.719 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.061 | 0.023 | 0.231 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 141367 | 4222 | 18053 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 14309 | 439 | 1893 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 7.50 | 13.70 | 3.00 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.9 | 99.6 | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 9.9 | 9.6 | 9.5 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.993 | 0.996 | 0.848 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5C9S |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-06-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.7 - 2.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2211 / 0.2826 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |