3ZSC
Catalytic function and substrate recognition of the pectate lyase from Thermotoga maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | H 3 |
| Unit cell lengths | 80.602, 80.602, 148.819 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.250 - 1.940 |
| R-factor | 0.18168 |
| Rwork | 0.179 |
| R-free | 0.23699 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bsp |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.699 |
| Data reduction software | DENZO |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 14.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.440 |
| Number of reflections | 26478 | |
| <I/σ(I)> | 18.6 | 3.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | pH 4.2 |
