Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.999 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 109.470, 109.470, 84.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.402 - 2.200 |
Rwork | 0.215 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vb2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.558 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.402 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 15531 | 1502 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 98.9 | |
Redundancy | 36.9 | |
CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.01 M Zinc sulphate heptahydrate, 0.1 M MES pH 6.5, 25% v/v PEG 550 MME |