Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-12 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.350, 69.350, 142.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.387 - 2.652 |
Rwork | 0.236 |
R-free | 0.30860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.616 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.430 | 2.660 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.240 | 1.810 |
Number of reflections | 10559 | 111 |
<I/σ(I)> | 12 | |
Completeness [%] | 98.6 | |
Redundancy | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M HEPES pH 7.5-8.5, 9-12 % PEG3350, 5 mM CoCl2, 5 mM CdCl2, 5 mM MgCl2, and 5 mM NiCl2 |