7OC8
Trichoderma reesei Cel7A E212Q mutant in complex with pNPL
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 | 83.186, 81.508, 109.918 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.130 - 1.600 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.18390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c4c |
RMSD bond length | 0.011 |
RMSD bond angle | 1.647 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC (5.8.0258) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.590 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.145 | 0.759 |
Rmeas | 0.160 | 0.837 |
Rpim | 0.067 | 0.349 |
Total number of observations | 267695 | |
Number of reflections | 49321 | 2387 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 5.4 | 5.5 |
CC(1/2) | 0.994 | 0.768 |
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 |