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6SYU

The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with xylobiose

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2018-11-08
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.91837
Spacegroup nameP 1
Unit cell lengths43.686, 44.340, 50.979
Unit cell angles77.24, 67.27, 70.58
Refinement procedure
Resolution41.580 - 1.330
R-factor0.1214
Rwork0.119
R-free0.14460
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6gs0
RMSD bond length0.008
RMSD bond angle1.021
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX (1.15.2_3472)
Refinement softwarePHENIX (1.15.2_3472)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.5801.380
High resolution limit [Å]1.3301.330
Rmerge0.0480.166
Rmeas0.0570.222
Rpim0.0300.146
Number of reflections579961682
<I/σ(I)>15.383.4
Completeness [%]77.022.3
Redundancy3.51.9
CC(1/2)0.9980.942
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5298Enzyme 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)

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