Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979682, 0.979558, 0.977769 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.930, 203.710, 100.050 |
| Unit cell angles | 90.00, 112.05, 90.00 |
Refinement procedure
| Resolution | 32.831 - 2.500 |
| R-factor | 0.1567 |
| Rwork | 0.153 |
| R-free | 0.22420 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.326 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SnB |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.860 | 2.670 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.570 |
| Number of reflections | 2309530 | |
| <I/σ(I)> | 22.14 | 3.62 |
| Completeness [%] | 95.9 | 84.6 |
| Redundancy | 23.26 | 12.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | PEG 8000, SODIUM CHLORIDE, NADH, SPERMINE TETRA-HCL, TRIS, PH 7.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
