| 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 | 170 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-03-18 |
Detector _diffrn_detector.type | RAYONIX MX300-HS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0 |
| Software | |
Data scaling _software.classification | SCALA |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 62 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 148.06 148.06 179.95 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 74.030 | 179.946 | 3.332 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.321 | 15.410 | 3.321 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.185 | 0.057 | 1.881 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.190 | - | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.041 | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 377723 | - | - |
Total number unique _reflns.number_obs | 17846 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 18.10 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | 100.0 | 99.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 21.2 | 13.4 | 21.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5JTJ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-05-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 74.0 - 3.321 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1911 / 0.2088 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1NBF |