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 |