| 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 ID29 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID29 |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2005-03-17 |
Detector _diffrn_detector.type | ADSC CCD |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SHELXCD |
Phasing #2 _software.classification | SHELXD |
Phasing #3 _software.classification | SHELXE (IN HKL2MAP) |
Refinement _software.classification | SHELXL-97 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 63 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 102.706 102.706 151.320 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97560 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 42.670 | 1.280 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.250 | 1.250 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.090 | 0.500 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 115216 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 24.90 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 89.0 | 51.5 |
Multiplicity _reflns.pdbx_redundancy | 13.4 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2UXY |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2007-04-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 1.3 - 1.250 Å |
R _refine.ls_R_factor_obs | 0.1112 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.1355 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |