4Z03
C. bescii Family 3 pectate lyase double mutant K108A in complex with trigalacturonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-21 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.872, 36.361, 99.555 |
| Unit cell angles | 90.00, 132.44, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.400 |
| R-factor | 0.12531 |
| Rwork | 0.122 |
| R-free | 0.18442 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.021 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 72222 | |
| <I/σ(I)> | 15.6 | 2.31 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 9.51 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 7.7 and 53% MPD |
