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 |