6XQM
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a 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 | 40.170, 75.610, 83.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.220 - 1.850 |
| R-factor | 0.1759 |
| Rwork | 0.174 |
| R-free | 0.21570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xof |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.911 |
| 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] | 41.740 | 41.740 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.171 | 0.055 | 1.360 |
| Rmeas | 0.179 | 0.058 | 1.437 |
| Rpim | 0.052 | 0.018 | 0.453 |
| Total number of observations | 255230 | 2312 | 13026 |
| Number of reflections | 22433 | 243 | 1357 |
| <I/σ(I)> | 8.1 | 19.3 | 1.3 |
| Completeness [%] | 99.9 | 99.6 | 99.4 |
| Redundancy | 11.4 | 9.5 | 9.6 |
| CC(1/2) | 0.995 | 0.999 | 0.781 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 27.5 % PEG4000, 0.2 M magnesium chloride, and 0.1 M MES |
