4U49
Crystal structure of Pectate Lyase Pel3 from Pectobacterium carotovorum with two monomers in the A.U
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.600, 72.000, 83.700 |
| Unit cell angles | 90.00, 101.30, 90.00 |
Refinement procedure
| Resolution | 35.654 - 1.800 |
| R-factor | 0.1794 |
| Rwork | 0.177 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b4n |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.764 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.700 | 10.000 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.051 | 0.480 |
| Number of reflections | 52416 | |
| <I/σ(I)> | 16.91 | 2.78 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.4 | 3.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Lithium acetate, 20% (w/v) PEG3350 |
