4G4J
Crystal structure of glucuronoyl esterase S213A mutant from Sporotrichum thermophile in complex with methyl 4-O-methyl-beta-D-glucopyranuronate determined at 2.35 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-16 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.5419 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 52.096, 69.766, 103.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.440 - 2.350 |
| R-factor | 0.18883 |
| Rwork | 0.186 |
| R-free | 0.24471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g4i |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.006 |
| 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] | 13.480 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.110 | 0.150 |
| Number of reflections | 15099 | |
| <I/σ(I)> | 7.7 | 5.3 |
| Completeness [%] | 92.8 | 90.4 |
| Redundancy | 3.4 | 3.2 |
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 |
