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 |