6XQG
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-cellobiosyl-cellobiose, 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 | 2015-11-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.730, 48.970, 114.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.010 - 2.150 |
| R-factor | 0.1856 |
| Rwork | 0.183 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xof |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.828 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.010 | 45.010 | 2.220 |
| High resolution limit [Å] | 2.150 | 8.860 | 2.150 |
| Rmerge | 0.179 | 0.061 | 0.822 |
| Rmeas | 0.198 | 0.069 | 0.926 |
| Rpim | 0.082 | 0.031 | 0.417 |
| Total number of observations | 72721 | 1075 | 5512 |
| Number of reflections | 12437 | 227 | 1044 |
| <I/σ(I)> | 5.4 | 8.9 | 1.6 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 5.8 | 4.7 | 5.3 |
| CC(1/2) | 0.967 | 0.992 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 30 % PEG4000, 0.1 M MgCl, and 0.1 M Tris |
