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 | 2017-05-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.537, 69.537, 140.442 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.134 - 2.230 |
Rwork | 0.198 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.861 |
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] | 17562.000 | 2.350 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.070 | 1.300 |
Number of reflections | 223284 | 2485 |
<I/σ(I)> | 24.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.7 |
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 |