7P6J
Crystal structure of glycosyl-enzyme intermediate of RBcel1 Y201F
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 | 2018-07-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.560, 90.540, 89.680 |
Unit cell angles | 90.00, 118.77, 90.00 |
Refinement procedure
Resolution | 44.820 - 1.750 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.20200 |
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 | Outer shell | |
Low resolution limit [Å] | 44.820 | 44.820 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.067 | 0.806 |
Rmeas | 0.073 | 0.037 |
Total number of observations | 845927 | |
Number of reflections | 124776 | 1467 |
<I/σ(I)> | 13.54 | 1.57 |
Completeness [%] | 98.8 | 93.3 |
Redundancy | 6.78 | 6.23 |
CC(1/2) | 0.999 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Reservoir: 0.1M Tris, 21% PEG600, pH7 Protein-ligand mix: 100 ul protein (14.1 mg/ml in 20 mM sodium phosphate buffer pH6.5) + 36 ul 212 mM cellotriose. Drop: 2 ul reservoir + 2 ul protein-ligand mix + 0.2 ul microseeds. |