| 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 5.0.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.0.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2011-01-28 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9774 |
| Software | |
Data reduction _software.classification | PROCESS |
Data scaling _software.classification | PROCESS |
Phasing _software.classification | BUSTER-TNT |
Refinement _software.classification | BUSTER-TNT (BUSTER 2.11.5) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 80.789 80.789 54.256 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97740 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 25.293 | 25.293 | 2.625 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.616 | 11.729 | 2.616 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.042 | 0.017 | 0.374 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 28650 | 240 | 228 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 6117 | 65 | 62 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 26.70 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.8 | 97.0 | 89.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.7 | 3.7 | 3.7 |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4YD0 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-02-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.3 - 2.620 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1617 / 0.2164 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |