Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-04 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 65 |
| Unit cell lengths | 63.230, 63.230, 99.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.760 - 2.190 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4U3K |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.469 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.760 | 2.250 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.041 | 0.780 |
| Rmeas | 0.062 | 1.060 |
| Number of reflections | 11616 | 1831 |
| <I/σ(I)> | 25.57 | 2.29 |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 13.52 | 13.28 |
| CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.56 | 298 | HEPES, PEG3350, NAN3, TRIS, DTT, PH 7.56 |
