Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 69.920, 74.837, 88.789 |
Unit cell angles | 102.71, 95.15, 100.35 |
Refinement procedure
Resolution | 38.000 - 2.100 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23320 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.504 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.800 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.088 | 0.078 | 0.443 |
Number of reflections | 97465 | ||
<I/σ(I)> | 9.7 | 1.83 | |
Completeness [%] | 97.7 | 97.8 | 94.1 |
Redundancy | 2.4 | 2.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0.2 M sodium thiocyanate, 20 % PEG-3350, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K |