3B90
Crystal Structure of the Catalytic Domain of Pectate Lyase PelI from Erwinia chrysanthemi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.93100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.400, 62.600, 128.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.830 - 2.110 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.108 | 0.186 |
| Number of reflections | 20021 | |
| <I/σ(I)> | 8.2 | 5.3 |
| Completeness [%] | 91.9 | 77.8 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.01 M zinc sulfate heptahydrate, 0.1 M MES, 25% PEG 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
