8AH3
DG04279 glycoside hydrolase family 172
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 | 2020-08-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | H 3 2 |
Unit cell lengths | 89.150, 89.150, 289.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 68.112 - 1.400 |
Rwork | 0.162 |
R-free | 0.18390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kq7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.703 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.112 | 68.110 | 1.420 |
High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
Rmerge | 0.078 | ||
Rmeas | 0.086 | ||
Rpim | 0.036 | ||
Number of reflections | 87401 | 87401 | 4237 |
<I/σ(I)> | 12.7 | ||
Completeness [%] | 99.9 | ||
Redundancy | 10.2 | 9.3 | 6.6 |
CC(1/2) | 0.999 | 0.999 | 0.412 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 mM MOPS/HEPES pH 7.5, 20 mM 1,6-Hexanediol; 20 mM 1-Butanol 20 mM 1,2-Propanediol; 20 mM 2-Propanol; 20 mM 1,4-Butanediol; 20 mM 1,3-Propanedioalcohol, 20 % Etylene Glycol and 10 % PEG 8000 |