4YZA
C. bescii Family 3 pectate lyase double mutant K108A/Q111A 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 | CCD |
| Collection date | 2014-03-04 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 0.98397 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.820, 36.430, 100.520 |
| Unit cell angles | 90.00, 132.85, 90.00 |
Refinement procedure
| Resolution | 50.890 - 1.250 |
| R-factor | 0.11 |
| Rwork | 0.108 |
| R-free | 0.15100 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.145 |
| 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] | 50.890 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.052 | 0.782 |
| Number of reflections | 100777 | |
| <I/σ(I)> | 25.6 | 2.3 |
| Completeness [%] | 98.5 | 95 |
| Redundancy | 11.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 9 and 65.9% MPD |
