3G1U
Crystal structure of Leishmania major S-adenosylhomocysteine hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98004 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.380, 82.470, 83.880 |
| Unit cell angles | 87.02, 71.41, 74.00 |
Refinement procedure
| Resolution | 22.870 - 2.200 |
| R-factor | 0.18403 |
| Rwork | 0.181 |
| R-free | 0.23165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 1LI4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.347 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.078 | 0.340 |
| Number of reflections | 86652 | |
| <I/σ(I)> | 10.55 | 3.34 |
| Redundancy | 9.4 | 42.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 0.1M Bicine 20% PEG6000, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
