4YZ0
C. bescii Family 3 pectate lyase double mutant K108A/E39Q in complex with trigalacturonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98397 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.290, 36.470, 100.070 |
Unit cell angles | 90.00, 132.63, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.150 |
R-factor | 0.11791 |
Rwork | 0.116 |
R-free | 0.14788 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.242 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.870 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Number of reflections | 124577 | |
<I/σ(I)> | 25.7 | 3 |
Completeness [%] | 95.5 | 82.9 |
Redundancy | 10.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Tris pH 8 and 68% MPD |