Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 224.807, 224.807, 337.131 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 169.031 - 2.600 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x0x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.210 | 2.620 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.580 |
| Number of reflections | 96638 | |
| <I/σ(I)> | 10.69 | 2.06 |
| Completeness [%] | 96.6 | 97.7 |
| Redundancy | 3.72 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | LITHIUM SULPHATE 1.5M, SODIUM CHLORIDE BUFFER PH 6. |
