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 |
