Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-10 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.407, 88.325, 89.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.992 - 1.000 |
R-factor | 0.1329 |
Rwork | 0.133 |
R-free | 0.14180 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.163 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.040 |
High resolution limit [Å] | 1.000 | 1.000 |
Number of reflections | 222826 | |
<I/σ(I)> | 25.9 | |
Completeness [%] | 90.1 | 71.5 |
Redundancy | 4.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 22% PEG 3350, 50 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |