3BLE
Crystal structure of the catalytic domain of LiCMS in complexed with malonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 85.158, 85.158, 112.897 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.840 - 2.000 |
| Rwork | 0.223 |
| R-free | 0.25400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | RESOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.080 |
| High resolution limit [Å] | 1.850 | 1.990 |
| Rmerge | 0.068 | 0.427 |
| Number of reflections | 41014 | |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 0.1M HEPES, 2.0M Sodium malonate, pH7.5, hanging drop, temperature 293K |
