Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.856, 191.501, 89.946 |
Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
Resolution | 36.589 - 2.378 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.21000 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.378 | 2.400 |
Number of reflections | 4160 | |
<I/σ(I)> | 10.2 | 3 |
Completeness [%] | 98.8 | 98.4 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Ammonium sulfate, 0.1 M HEPES pH 7.5, 25 % w/v Polyehtlyene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |