6XQF
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellotriosyl-glucose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4583 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.692, 49.868, 114.474 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.720 - 1.580 |
R-factor | 0.1733 |
Rwork | 0.171 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xof |
RMSD bond length | 0.016 |
RMSD bond angle | 1.941 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.720 | 45.720 | 1.610 |
High resolution limit [Å] | 1.580 | 8.650 | 1.580 |
Rmerge | 0.084 | 0.052 | 0.367 |
Rmeas | 0.094 | 0.058 | 0.447 |
Rpim | 0.042 | 0.027 | 0.247 |
Total number of observations | 151100 | 999 | 3356 |
Number of reflections | 30357 | 229 | 1162 |
<I/σ(I)> | 13.9 | 26.3 | 2.4 |
Completeness [%] | 97.2 | 97.2 | 77.7 |
Redundancy | 5 | 4.4 | 2.9 |
CC(1/2) | 0.989 | 0.982 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 30 % PEG4000, 0.2 M magnesium chloride, and 0.1 M Tris |