7P6H
Crystal structure of the endoglucanase RBcel1 E135Q in complex with cellotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9801 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.740, 99.790, 149.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.460 - 1.730 |
R-factor | 0.168 |
Rwork | 0.167 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ee9 |
Data reduction software | XDS (20190315) |
Data scaling software | XSCALE (20190315) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.460 | 41.460 | 1.770 |
High resolution limit [Å] | 1.730 | 7.730 | 1.730 |
Rmerge | 0.081 | 0.030 | 1.485 |
Rmeas | 0.088 | 0.034 | 1.611 |
Total number of observations | 512215 | ||
Number of reflections | 71941 | 900 | 4942 |
<I/σ(I)> | 14.59 | 35.19 | 1.41 |
Completeness [%] | 99.3 | 96.8 | 93 |
Redundancy | 7.12 | 6.123 | 6.421 |
CC(1/2) | 0.999 | 0.998 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | Reservoir: 0.1M Tris, 17.5% PEG600, pH7.4. Protein: 14 mg/ml in 20 mM sodium phosphate buffer, pH6.5. Drop: 2 ul reservoir + 2 ul protein + 0.4 ul 2 mM cellotriose + 0.2 ul microseeds. |