| 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 | ESRF BEAMLINE ID14-4 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID14-4 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-01-30 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | HKL2Map |
Model building _software.classification | HKL2Map |
Refinement _software.classification | PHENIX (phenix.refine: 1.5_2) |
| 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} | 164.65 164.65 174.83 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.94000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 1.950 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.900 | 1.900 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.343 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 208931 | 15436 |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 4.81 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | 100.0 |
Multiplicity _reflns_shell.pdbx_redundancy | - | 5.7 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3RFT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-04-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 47.6 - 1.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1512 / 0.1725 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |