Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9724 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 109.499, 109.499, 141.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.305 - 1.310 |
Rwork | 0.131 |
R-free | 0.16440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oni |
RMSD bond length | 0.017 |
RMSD bond angle | 2.059 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.305 | 1.330 |
High resolution limit [Å] | 1.310 | 1.310 |
Rmerge | 0.033 | 1.236 |
Number of reflections | 101696 | 4890 |
<I/σ(I)> | 14.8 | |
Completeness [%] | 99.4 | |
Redundancy | 4.4 | |
CC(1/2) | 0.999 | 0.404 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M Magnesium chloride hexahydrate, 0.1 M MES, 20% PEG 6000 pH 6 |