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 |
