Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-27 |
| Detector | ADSC QUANTUM Q4R |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 223.893, 223.893, 336.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 169.031 - 3.100 |
| R-factor | 0.169 |
| Rwork | 0.165 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x0x |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.441 |
| Data reduction software | MOSFLM |
| Data scaling software | TRUNCATE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.250 | 3.130 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.130 | 0.480 |
| Number of reflections | 58056 | |
| <I/σ(I)> | 11.85 | 2.18 |
| Completeness [%] | 98.9 | 98.6 |
| Redundancy | 4.53 | 4.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | LITHIUM SULPHATE 1.5M, SODIUM CHLORIDE BUFFER PH 6. |
