6SZ0
The glucuronoyl esterase OtCE15A H408A variant from Opitutus terrae
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 | 43.197, 44.204, 50.154 |
Unit cell angles | 76.31, 65.70, 70.74 |
Refinement procedure
Resolution | 45.390 - 1.740 |
R-factor | 0.1459 |
Rwork | 0.142 |
R-free | 0.19210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.006 |
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] | 45.390 | 1.800 |
High resolution limit [Å] | 1.738 | 1.738 |
Rmerge | 0.046 | 0.338 |
Rmeas | 0.055 | 0.401 |
Rpim | 0.029 | 0.213 |
Number of reflections | 30758 | 2499 |
<I/σ(I)> | 14.6 | 2.85 |
Completeness [%] | 94.2 | 76.75 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.998 | 0.945 |
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) |