6T0I
The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with the aldotetrauronic acid XUX
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 | 2018-12-09 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 |
Unit cell lengths | 43.406, 44.173, 50.237 |
Unit cell angles | 75.80, 65.49, 70.98 |
Refinement procedure
Resolution | 32.490 - 1.530 |
R-factor | 0.1638 |
Rwork | 0.160 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.159 |
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] | 32.490 | 1.590 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.044 | 1.330 |
Rmeas | 0.052 | |
Rpim | 0.027 | 0.810 |
Number of reflections | 42551 | 3634 |
<I/σ(I)> | 15.38 | 0.72 |
Completeness [%] | 88.6 | 67.55 |
Redundancy | 3.7 | 3.5 |
CC(1/2) | 0.999 | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Enzyme mixed 50/50 with reservoir solution containing Morpheus screen solution E8: 0.12 M Ethylene glycols (0.3M Diethylene glycol; 0.3M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3M Pentaethylene glycol), 0.1 M Buffer System 2 pH 7.5 (Sodium HEPES; MOPS), and 50 % v/v Precipitant Mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) |