Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2007-06-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.75003 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.770, 30.870, 43.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.165 - 1.800 |
| Rwork | 0.212 |
| R-free | 0.28310 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2elg |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.901 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | FFT |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.165 | 1.440 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.104 | 0.450 |
| Rpim | 0.066 | 0.301 |
| Number of reflections | 3464 | 255 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 69.9 | 66.6 |
| Redundancy | 5.6 | 5.7 |
| CC(1/2) | 0.990 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.9 | 298 | 10 mg of compound dissolved in 100 microLiter of 20 % MPD cacodylate buffer + 0.01 M MgCl2 |
