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 | 2010-03-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.883, 106.234, 85.867 |
| Unit cell angles | 90.00, 108.33, 90.00 |
Refinement procedure
| Resolution | 44.200 - 2.300 |
| R-factor | 0.1973 |
| Rwork | 0.197 |
| R-free | 0.24090 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.274 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.400 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 63596 | 796 |
| <I/σ(I)> | 20.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.9 M lithium sulfate 0.5 M sodium citrate pH 5.8 |
