6RV7
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid UXXR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99987 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.781, 84.781, 260.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.327 - 1.730 |
R-factor | 0.1669 |
Rwork | 0.166 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rtv |
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] | 49.330 | 49.330 | 1.760 |
High resolution limit [Å] | 1.730 | 9.480 | 1.730 |
Rmerge | 0.119 | 0.039 | 1.276 |
Rmeas | 0.129 | 0.042 | 1.377 |
Rpim | 0.049 | 0.016 | 0.512 |
Total number of observations | 686893 | 4348 | 34360 |
Number of reflections | 99913 | 724 | 4830 |
<I/σ(I)> | 10.3 | 37.7 | 1.5 |
Completeness [%] | 99.9 | 98.4 | 100 |
Redundancy | 6.9 | 6 | 7.1 |
CC(1/2) | 0.998 | 0.999 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M phosphate-citrate pH 4.2, 0.1 M KCl, 20% w/v PEG8000 |