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 | 2005-06-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 53.816, 58.907, 85.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.700 - 1.750 |
| R-factor | 0.1694 |
| Rwork | 0.165 |
| R-free | 0.20760 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.681 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.063 | 0.549 |
| Number of reflections | 13809 | |
| <I/σ(I)> | 47.7 | 1.9 |
| Completeness [%] | 98.0 | 79.7 |
| Redundancy | 8.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.2 M CALCIUM CHLORIDE, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
