4WPL
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.910, 63.900, 45.080 |
| Unit cell angles | 90.00, 112.23, 90.00 |
Refinement procedure
| Resolution | 19.830 - 1.150 |
| R-factor | 0.10477 |
| Rwork | 0.104 |
| R-free | 0.12354 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.881 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.830 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 70859 | |
| <I/σ(I)> | 12.2 | 3.6 |
| Completeness [%] | 98.0 | 90 |
| Redundancy | 3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 293 | Ammonium acetate, sodium acetate trihydrate, PEG 4000, hexafluoro 2-propanol |
