4Z06
C. bescii Family 3 pectate lyase double mutant K108A/R133A in complex with ALPHA-D-GALACTOPYRANURONIC 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 | 137.680, 36.240, 99.820 |
Unit cell angles | 90.00, 132.53, 90.00 |
Refinement procedure
Resolution | 49.800 - 1.550 |
R-factor | 0.16228 |
Rwork | 0.160 |
R-free | 0.20045 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.987 |
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] | 49.800 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 49328 | |
<I/σ(I)> | 29.5 | 5.2 |
Completeness [%] | 97.7 | 96.1 |
Redundancy | 13 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.1 and 65.9% MPD |