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 | 2009-11-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9792064 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.509, 134.026, 139.906 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.200 - 2.093 |
R-factor | 0.17448 |
Rwork | 0.174 |
R-free | 0.19915 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.476 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.093 | 2.093 |
Rmerge | 0.091 | 0.684 |
Number of reflections | 94834 | |
<I/σ(I)> | 14.5 | 2.2 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 5.5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M magnesium formate, 15%(w/v) PEG3350, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |