Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 136.470, 89.840, 50.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.000 - 2.700 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.26000 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.531 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | TNT (5.6.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.310 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.090 | 0.140 |
| Number of reflections | 114952 | |
| <I/σ(I)> | 7.4 | 2.4 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1 M TRISODIUM CITRATE, 10 MM SODIUM BORATE PH 8.5 |
