Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.039, 27.630, 114.542 |
| Unit cell angles | 90.00, 101.83, 90.00 |
Refinement procedure
| Resolution | 48.280 - 2.352 |
| Rwork | 0.221 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t4d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.258 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.280 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.092 | 0.466 |
| Rmeas | 0.100 | 0.532 |
| Rpim | 0.040 | 0.250 |
| Number of reflections | 17460 | 1247 |
| <I/σ(I)> | 13.4 | 2.8 |
| Completeness [%] | 95.4 | 71.5 |
| Redundancy | 6.1 | 4.1 |
| CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.166 M Tris-HCl pH 8.8, 0.15 M MgCl2, 0.45 M KI, 24% PEG 2000 MME, and 4% glycerol |
