6RTV
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.273, 84.273, 261.127 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.392 - 1.460 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.19940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pic |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.170 | 49.170 | 1.480 |
High resolution limit [Å] | 1.460 | 7.990 | 1.460 |
Rmerge | 0.158 | 0.038 | 0.864 |
Rmeas | 0.167 | 0.041 | 0.926 |
Rpim | 0.053 | 0.014 | 0.324 |
Total number of observations | 1584810 | 9860 | 61929 |
Number of reflections | 163708 | 1207 | 7946 |
<I/σ(I)> | 7.5 | 18.9 | 1.8 |
Completeness [%] | 100.0 | 99.5 | 99.3 |
Redundancy | 9.7 | 8.2 | 7.8 |
CC(1/2) | 0.997 | 0.999 | 0.455 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M HEPES pH 7, 0.1 M KCl, 25% w/v SOKALAN CP7 |