4G4G
Crystal structure of recombinant glucuronoyl esterase from Sporotrichum thermophile determined at 1.55 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8123 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.973, 58.735, 136.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.360 - 1.550 |
R-factor | 0.20639 |
Rwork | 0.204 |
R-free | 0.25371 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pic |
RMSD bond length | 0.005 |
RMSD bond angle | 0.967 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.450 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.069 | 0.498 |
Number of reflections | 51271 | |
<I/σ(I)> | 9.5 | 2.5 |
Completeness [%] | 94.5 | 95.9 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 30% PEG 3350, 0.1M Tris(hydroxymethyl)aminomethane hydrochloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289.0K |