4U4B
Crystal Structure of Pectate Lyase Pel3 from Pectobacterium carotovorum with one monomer in the A.U.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.000, 44.350, 86.250 |
| Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
| Resolution | 19.700 - 2.100 |
| R-factor | 0.1743 |
| Rwork | 0.170 |
| R-free | 0.24990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b4n |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.116 |
| 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] | 19.700 | 9.390 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.054 | 0.126 |
| Number of reflections | 15124 | |
| <I/σ(I)> | 19.17 | 6.71 |
| Completeness [%] | 91.5 | 60.3 |
| Redundancy | 2.87 | 2.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1M succinic acid, 0.1M HEPES, 1% (m/v) PEG MME 2000 |
