2ZJ0
Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine
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 | 2005-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.96400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.254, 112.079, 100.451 |
| Unit cell angles | 90.00, 95.15, 90.00 |
Refinement procedure
| Resolution | 33.150 - 2.420 |
| R-factor | 0.19804 |
| Rwork | 0.194 |
| R-free | 0.27993 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ce6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.699 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.490 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.081 | 0.406 |
| Number of reflections | 70373 | |
| <I/σ(I)> | 10.52 | |
| Completeness [%] | 91.9 | 79.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.5 | 0.2 M Magnesium chloride, 0.1 M Tris-HCl pH 8.5, 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
