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 |
