Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 1W2B |
Synchrotron site | BSRF |
Beamline | 1W2B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.257, 154.327, 53.726 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.360 - 2.920 |
R-factor | 0.219 |
Rwork | 0.216 |
R-free | 0.27000 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.326 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 17756 | |
Completeness [%] | 95.8 | 66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 291 | 22%(V/V) PEG 500, 0.1M SODIUM CITRATR PH5.5, 2%(V/V) 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |
1 | EVAPORATION | 5.5 | 291 | 22%(V/V) PEG 500, 0.1M SODIUM CITRATR PH5.5, 2%(V/V) 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |