Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 84.256, 84.256, 66.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.190 - 1.970 |
| R-factor | 0.2056 |
| Rwork | 0.201 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.463 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.580 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.065 | 1.054 |
| Rmeas | 0.066 | 1.080 |
| Rpim | 0.015 | 0.234 |
| Total number of observations | 336247 | 52496 |
| Number of reflections | 16782 | 2492 |
| <I/σ(I)> | 26.1 | 3.1 |
| Completeness [%] | 96.0 | |
| Redundancy | 20 | 21.1 |
| CC(1/2) | 1.000 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 300 | 10mM Cobalt chloride 100mM MES pH 6.5 1.8 M Ammonium sulfate |
