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 |