3B4N
Crystal Structure Analysis of Pectate Lyase PelI from Erwinia chrysanthemi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.600, 70.700, 73.400 |
| Unit cell angles | 90.00, 112.80, 90.00 |
Refinement procedure
| Resolution | 19.020 - 1.450 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.19800 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.065 | 0.330 |
| Number of reflections | 102424 | |
| <I/σ(I)> | 10.6 | 3.4 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.7 | 3.5 |
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 |
