1SJN
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 | 2003-11-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.521, 78.506, 94.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.860 - 1.800 |
| R-factor | 0.16973 |
| Rwork | 0.168 |
| R-free | 0.19765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1six |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.949 |
| 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] | 90.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 39997 | |
| <I/σ(I)> | 20 | 5.7 |
| Completeness [%] | 98.8 | 99.7 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 3350, magnesium nitrate, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
