1SMC
Mycobacterium tuberculosis dUTPase complexed with dUTP in the absence of metal ion.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.595, 77.697, 94.781 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.16959 |
| Rwork | 0.165 |
| R-free | 0.20675 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | M. tuberculosis dUTPase complexed with dUMP and magnesium. |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.246 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 27903 | |
| <I/σ(I)> | 22.7 | 5.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 3350, ammonium nitrate, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
