3B8Y
Crystal Structure of Pectate Lyase PelI from Erwinia chrysanthemi in complex with tetragalacturonic acid
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 | 2005-04-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.93100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.150, 68.680, 73.360 |
| Unit cell angles | 90.00, 113.98, 90.00 |
Refinement procedure
| Resolution | 19.370 - 2.300 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.400 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.058 | 0.276 |
| Number of reflections | 62376 | |
| <I/σ(I)> | 11.18 | 3.23 |
| Completeness [%] | 97.8 | 96.8 |
| Redundancy | 1.9 | 1.85 |
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 |
