6RV8
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor covalent complex with the aldouronic acid UXXR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.750, 84.750, 261.062 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.450 - 1.850 |
R-factor | 0.1509 |
Rwork | 0.149 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rtv |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.450 | 44.450 | 1.830 |
High resolution limit [Å] | 1.800 | 9.520 | 1.800 |
Rmerge | 0.101 | 0.035 | 1.158 |
Rmeas | 0.103 | 0.036 | 1.193 |
Rpim | 0.021 | 0.008 | 0.272 |
Total number of observations | 2056826 | 14989 | 55271 |
Number of reflections | 85042 | 747 | 3131 |
<I/σ(I)> | 24 | 62.6 | 2.7 |
Completeness [%] | 95.5 | 99.3 | 67.9 |
Redundancy | 24.2 | 20.1 | 17.7 |
CC(1/2) | 0.999 | 1.000 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M ammonium acetate, 0.1 M bis-tris pH 5.5, 17% w/v PEG10000 |