Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.005 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 65.637, 65.637, 85.568 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.348 - 2.000 |
| R-factor | 0.1735 |
| Rwork | 0.170 |
| R-free | 0.23670 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.170 |
| Number of reflections | 14251 | |
| <I/σ(I)> | 10.7 | 6.3 |
| Completeness [%] | 96.3 | 96.7 |
| Redundancy | 6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.9M LiSO4, 0.01M NiCl2, 0.1M Tris, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
