Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
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 | 69.300, 69.300, 142.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.729 - 2.702 |
Rwork | 0.199 |
R-free | 0.30240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.785 |
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] | 142.800 | 2.830 |
High resolution limit [Å] | 2.690 | 2.690 |
Rmerge | 0.200 | 1.300 |
Number of reflections | 10028 | 1456 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 97.0 | |
Redundancy | 12.6 |
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 |