1SNF
MYCOBACTERIUM TUBERCULOSIS DUTPASE COMPLEXED WITH MAGNESIUM AND DEOXYURIDINE 5'-MONOPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.228, 77.496, 93.949 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.890 - 1.850 |
| R-factor | 0.17293 |
| Rwork | 0.169 |
| R-free | 0.20462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq7 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.716 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 36211 | |
| <I/σ(I)> | 14.8 | 2.9 |
| Completeness [%] | 97.9 | 98.7 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | PEG 3350, magnesium nitrate, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
