6SZ4
The glucuronoyl esterase OtCE15A H408A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 |
Unit cell lengths | 43.104, 44.150, 50.179 |
Unit cell angles | 76.09, 66.23, 70.85 |
Refinement procedure
Resolution | 45.560 - 1.750 |
R-factor | 0.2189 |
Rwork | 0.214 |
R-free | 0.28360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.181 |
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] | 45.560 | 1.812 |
High resolution limit [Å] | 1.749 | 1.749 |
Rmerge | 0.098 | 0.829 |
Rmeas | 0.117 | 0.983 |
Rpim | 0.062 | 0.523 |
Number of reflections | 30662 | 2844 |
<I/σ(I)> | 6.62 | 1.53 |
Completeness [%] | 95.5 | 88.67 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.994 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Protein mixed 50/50 with reservoir solution of 0.2 M Ammonium formate None 20 % w/v PEG 3350 |