6GRW
Glucuronoyl Esterase from Opitutus terrae (Au derivative)
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 | 2017-08-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 43.693, 44.608, 50.558 |
Unit cell angles | 76.57, 67.17, 70.65 |
Refinement procedure
Resolution | 46.270 - 1.500 |
R-factor | 0.1355 |
Rwork | 0.135 |
R-free | 0.15850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Structure under deposition |
RMSD bond length | 0.008 |
RMSD bond angle | 1.093 |
Data reduction software | XDS (BUILT=20180126) |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.13_2998) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.270 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.042 | 0.314 |
Rmeas | 0.050 | 0.370 |
Number of reflections | 50802 | 7975 |
<I/σ(I)> | 16.69 | 3.4 |
Completeness [%] | 95.9 | 93.3 |
Redundancy | 3.55 | 3.6 |
CC(1/2) | 0.999 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293.15 | Reservoir composition for crystal growth: 0.03M Magnesium chloride, 0.03 M calcium chloride, 0.05M imidazole, 0.05M MES, 10% v/v MPD, 10% w/v PEG 1000, 10% v/w PEG 3500P. Heavy atom derivatization: 1.2uL crystallization mother liquor containing 0.5mM KAu(CN)2 added to drop containing crystals. Drop size and composition: Sitting drops of 0.4ul were mixed in a protein:reservoir volume ratio of 1:1 using 45 mg/mL of OtCE15A in 20 mM TRIS pH 8.0 |