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 | 2019-06-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96872 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 105.767, 105.767, 185.882 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.324 - 3.100 |
R-factor | 0.2747 |
Rwork | 0.275 |
R-free | 0.32990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5my6 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.406 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.324 | 3.310 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 22490 | 4001 |
<I/σ(I)> | 5.1 | 0.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.2 | 19.7 |
CC(1/2) | 0.990 | 0.340 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 13% PEG6000 (w/v), 0.1 M MES pH 6.5, 7% 2-methyl-2,4-pentanediol |