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 | 2019-10-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 55.665, 28.799, 62.289 |
Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
Resolution | 44.410 - 1.200 |
Rwork | 0.130 |
R-free | 0.15860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yxf |
RMSD bond length | 0.021 |
RMSD bond angle | 2.188 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.410 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rpim | 0.014 | 0.066 |
Number of reflections | 30020 | 1429 |
<I/σ(I)> | 32.4 | 10.2 |
Completeness [%] | 97.7 | 92.3 |
Redundancy | 6.3 | 5.2 |
CC(1/2) | 0.999 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate |