| 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 | 2014-08-26 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.8266 |
| Software | |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | SHELX |
Refinement _software.classification | PHENIX |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 4 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 33.133 33.133 54.843 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.82660 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 50.000 | 1.090 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.070 | 2.900 | 1.070 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.112 | 0.128 | 0.187 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.117 | 0.135 | 0.198 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.034 | 0.041 | 0.061 |
Total number of observations _reflns.pdbx_number_measured_all | 310744 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 25610 | 1301 | 692 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 31.80 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.4 | 95.5 | 53.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 12.1 | 11.3 | 9.4 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.982 | 0.981 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4XK0 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-01-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 21.5 - 1.080 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1440 / 0.1440 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |