| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SPRING-8 BEAMLINE BL44XU |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SPring-8 |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL44XU |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2010-01-30 |
Detector _diffrn_detector.type | Bruker DIP-6040 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97622, 0.9788, 0.9790, 0.9686 |
| Software | |
Data collection _software.classification | HKL-2000 |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing #1 _software.classification | SOLVE |
Phasing #2 _software.classification | RESOLVE |
Model building _software.classification | RESOLVE |
Refinement _software.classification | PHENIX (phenix.refine: 1.6_289) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 73.941 77.352 84.410 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.976220.978800.979000.96860 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.030 | 5.510 | 2.030 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.047 | - | - |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs | 31586 | - | - |
| <I/σ(I)> | - | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.1 | 95.3 | 93.1 |
Multiplicity _reflns.pdbx_redundancy | 4.9 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3OSF |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-09-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 36.7 - 2.032 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2064 / 0.2579 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |