6SYU
The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with xylobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.91837 |
Spacegroup name | P 1 |
Unit cell lengths | 43.686, 44.340, 50.979 |
Unit cell angles | 77.24, 67.27, 70.58 |
Refinement procedure
Resolution | 41.580 - 1.330 |
R-factor | 0.1214 |
Rwork | 0.119 |
R-free | 0.14460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.021 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.15.2_3472) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.580 | 1.380 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.048 | 0.166 |
Rmeas | 0.057 | 0.222 |
Rpim | 0.030 | 0.146 |
Number of reflections | 57996 | 1682 |
<I/σ(I)> | 15.38 | 3.4 |
Completeness [%] | 77.0 | 22.3 |
Redundancy | 3.5 | 1.9 |
CC(1/2) | 0.998 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Enzyme mixed 50/50 with reservoir solution containing Morpheus screen solution C12: 0.09 M NPS (0.3M Sodium nitrate, 0.3 Sodium phosphate dibasic, 0.3M Ammonium sulfate), 0.1 M Buffer System 3 pH 8.5 (Tris; BICINE), 50 % v/v Precipitant Mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) |