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 |
