1SIX
Mycobacterium tuberculosis dUTPase complexed with magnesium and alpha,beta-imido-dUTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 63 |
| Unit cell lengths | 54.822, 54.822, 84.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.300 |
| R-factor | 0.1216 |
| Rwork | 0.120 |
| R-free | 0.13790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 35121 | |
| <I/σ(I)> | 18.1 | 7.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 12.1 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 3350, magnesium nitrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
