2ZJ1
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3'-keto-aristeromycin
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 | 94.854, 111.850, 100.403 |
| Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
| Resolution | 34.590 - 2.010 |
| R-factor | 0.19249 |
| Rwork | 0.190 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ce6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.568 |
| 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 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.067 | 0.353 |
| Number of reflections | 129513 | |
| <I/σ(I)> | 10.12 | |
| Completeness [%] | 98.9 | 89.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291.5 | 20% PEG 1000, 200 mM Imidazole pH 8.0, 100 mM Calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
