6ZZ3
RBcel1 cellulase variant Y201F with cellotriose covalently bound
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 | PIXEL |
Collection date | 2018-02-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.000, 61.890, 177.260 |
Unit cell angles | 90.00, 97.11, 90.00 |
Refinement procedure
Resolution | 45.101 - 2.095 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ee9 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.875 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.7.15) |
Refinement software | PHENIX (1.11-2563) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.101 | 45.101 | 2.150 |
High resolution limit [Å] | 2.095 | 9.370 | 2.100 |
Rmerge | 0.087 | 0.032 | 1.302 |
Rmeas | 0.094 | 0.034 | 1.409 |
Number of reflections | 72131 | 860 | 4990 |
<I/σ(I)> | 11.93 | 38.03 | 1.26 |
Completeness [%] | 99.5 | 98.5 | 94.4 |
Redundancy | 6.921 | 6.683 | 6.68 |
CC(1/2) | 0.999 | 0.999 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 20.5% PEG600, 100mM Tris, 1mM 2-Chloro-4-nitrophenyl-b-cellotrioside |