4G4I
Crystal structure of glucuronoyl esterase S213A mutant from Sporotrichum thermophile determined at 1.9 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION SUPERNOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | Atlas 135mm CCD detector |
Wavelength(s) | 1.5419 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 52.010, 69.616, 103.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.930 - 1.900 |
R-factor | 0.17088 |
Rwork | 0.169 |
R-free | 0.20758 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g4g |
RMSD bond length | 0.006 |
RMSD bond angle | 0.997 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.970 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.210 |
Number of reflections | 30113 | |
<I/σ(I)> | 11.4 | 3 |
Completeness [%] | 99.0 | 95.6 |
Redundancy | 3.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 25% PEG 550 MME, 0.1M sodium acetate , pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |