Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97600 |
| Spacegroup name | H 3 |
| Unit cell lengths | 183.240, 183.240, 151.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.700 - 2.550 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.21700 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | SOLVE |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.200 | 44.200 | 2.560 |
| High resolution limit [Å] | 2.500 | 11.460 | 2.500 |
| Rmerge | 0.062 | 0.047 | 1.101 |
| Rmeas | 0.068 | 0.054 | 1.212 |
| Rpim | 0.029 | 0.025 | 0.504 |
| Total number of observations | 375144 | 2265 | 26826 |
| Number of reflections | 65295 | ||
| <I/σ(I)> | 18.3 | 45.1 | 1.6 |
| Completeness [%] | 99.6 | 73.5 | 100 |
| Redundancy | 5.7 | 4.6 | 5.8 |
| CC(1/2) | 0.999 | 0.994 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Pre-incubated with SAM in 10-fold stoichiometric excess. Reservoir: 22% PEG 3350, 0.1 M Ammonium Sulfate, 0.1 M Tris-HCl. |
