| 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 | ALS BEAMLINE 5.0.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.0.2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-02-21 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.92023 |
| Software | |
Data reduction _software.classification | xia2 |
Data scaling _software.classification | Aimless (0.3.5) |
Phasing _software.classification | PHASER |
Refinement _software.classification | BUSTER-TNT (BUSTER 2.10.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 84.32 84.32 238.96 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.92023 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 84.320 | 84.320 | 3.430 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.210 | 9.080 | 3.210 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.118 | 0.029 | 0.818 |
| Rmeas | - | - | - |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.028 | 0.007 | 0.191 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 275631 | 12134 | 50201 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 14926 | 794 | 2621 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 23.10 | 77.70 | 4.70 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | 100.0 | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 18.5 | 15.3 | 19.2 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 1.000 | 1.000 | 0.960 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5C9E |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-06-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 79.5 - 3.210 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2105 / 0.2562 |