7NYT
Trichoderma reesei Cel7A E212Q mutant in complex with lactose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979957 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 83.540, 82.210, 110.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.770 - 1.090 |
| R-factor | 0.1243 |
| Rwork | 0.123 |
| R-free | 0.14250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c4c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.497 |
| Data reduction software | XDS (Jan 26, 2018) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | REFMAC (5.8.0258) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.770 | 41.770 | 1.130 |
| High resolution limit [Å] | 1.090 | 4.240 | 1.090 |
| Rmerge | 0.074 | 0.035 | 0.683 |
| Rmeas | 0.081 | 0.038 | 0.820 |
| Rpim | 0.032 | 0.015 | 0.442 |
| Total number of observations | 18433 | 16963 | |
| Number of reflections | 137896 | 2867 | 6254 |
| <I/σ(I)> | 13.3 | 44.2 | 1.3 |
| Completeness [%] | 88.5 | 99.4 | 41.4 |
| Redundancy | 6.1 | 6.4 | 2.7 |
| CC(1/2) | 0.999 | 0.999 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 50 mM morpholinoethane sulphonic acid (pH 6.0), 21.25% polyethylene glycol 5000 monomethyl ether, 12.5% glycerol, 5 mM cobalt chloride |
