Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 63 |
Unit cell lengths | 154.010, 154.010, 207.720 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.990 - 3.210 |
Rwork | 0.228 |
R-free | 0.25720 |
Structure solution method | MIR |
RMSD bond length | 0.002 |
RMSD bond angle | 1.020 |
Data reduction software | XDS (2021-04) |
Data scaling software | XSCALE (2021-02) |
Phasing software | PHASER (2.1.2) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.990 | 3.290 |
High resolution limit [Å] | 3.210 | 3.210 |
Number of reflections | 45535 | 3341 |
<I/σ(I)> | 15.57 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 20 | 20 |
CC(1/2) | 0.990 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 285 | 15% PEG 1000, 6 mM hexaamminecobalt (III) chloride, 0.1 M tris/HCl |