6HSW
A CE15 glucuronoyl esterase from Teredinibacter turnerae T7901
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] | 300 |
Detector technology | PIXEL |
Collection date | 2017-08-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979500 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 121.173, 121.173, 198.203 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.810 - 2.147 |
R-factor | 0.164076629898 |
Rwork | 0.164 |
R-free | 0.21208 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.055 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AutoSol |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.810 | 2.224 |
High resolution limit [Å] | 2.147 | 2.147 |
Rmerge | 0.198 | |
Rmeas | 0.203 | |
Rpim | 0.045 | 0.409 |
Number of reflections | 92246 | 9051 |
<I/σ(I)> | 13.86 | 1.37 |
Completeness [%] | 99.8 | 98.96 |
Redundancy | 20.3 | 19.6 |
CC(1/2) | 0.995 | 0.634 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Enzyme mixed 50/50 with reservoir solution containing Morpheus screen solution with 0.09 M halogens (0.3M Sodium fluoride; 0.3M Sodium bromide; 0.3M Sodium iodide), 0.1 M Buffer system 1 (Imidazole; MES) , and 50% v/v Precipitant mix 2 (40% v/v Ethylene glycol; 20 % w/v PEG8000) |