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 |
