Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-16 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.390, 76.430, 147.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.430 - 2.200 |
Rwork | 0.211 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nob |
RMSD bond length | 0.003 |
RMSD bond angle | 1.197 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 24609 | 1785 |
<I/σ(I)> | 7.53 | |
Completeness [%] | 100.0 | |
Redundancy | 13.36 | |
CC(1/2) | 0.996 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 22.5% PEG6000, Bicine pH=8.75 |