Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 146.393, 146.393, 148.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 4.200 |
| R-factor | 0.2967 |
| Rwork | 0.294 |
| R-free | 0.34960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fb7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.252 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.350 |
| High resolution limit [Å] | 4.200 | 9.030 | 4.200 |
| Rmerge | 0.153 | 0.102 | |
| Number of reflections | 12272 | 1323 | 1189 |
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 99.7 | 97.3 | 100 |
| Redundancy | 6.2 | 5.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | 0.1M Tris-HCl, 10mM NiCl2, 1.1M Li2SO4, 5% glycerol |
