3DHY
Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2008-04-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.200, 111.690, 100.130 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.26405 |
| Rwork | 0.260 |
| R-free | 0.34004 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ce6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.628 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.500 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.190 |
| Rmerge | 0.309 | 0.677 |
| Number of reflections | 384395 | |
| <I/σ(I)> | 2 | 0.7 |
| Completeness [%] | 58.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.5 | 0.2 M MgCl2, 0.1 M Tris pH 8.5, 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
