Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 118.689, 118.689, 205.586 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.691 - 2.050 |
| Rwork | 0.141 |
| R-free | 0.18770 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | unpublished isomorphous structure |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.730 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmeas | 0.135 | 0.663 |
| Rpim | 0.066 | 0.320 |
| Number of reflections | 34644 | 5079 |
| <I/σ(I)> | 7.4 | 2.5 |
| Completeness [%] | 98.7 | 99.4 |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.990 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 285 | 54% v/v tacsimate pH 6.8 |
