2ZHX
Crystal structure of Uracil-DNA Glycosylase from Mycobacterium tuberculosis in complex with a proteinaceous inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 201.143, 64.274, 203.677 |
Unit cell angles | 90.00, 109.72, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.100 |
R-factor | 0.23581 |
Rwork | 0.234 |
R-free | 0.27638 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ugh 1UUG and 1UDI |
RMSD bond length | 0.013 |
RMSD bond angle | 1.435 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 43788 | |
<I/σ(I)> | 8.2 | 2.4 |
Completeness [%] | 97.2 | 91.8 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 10%(w/v) PEG 8000 and 0.2M NaCl in 0.1M phosphate buffer pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |