4WRV
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III
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 | 2013-09-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97372 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.450, 59.920, 73.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.830 - 1.440 |
| R-factor | 0.12214 |
| Rwork | 0.121 |
| R-free | 0.14020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.493 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.830 | 1.520 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.110 | 1.034 |
| Number of reflections | 37819 | |
| <I/σ(I)> | 10.8 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | Sodium acetate trihydrate, Sodium cacodylate trihydrate, PEG 8000, Jeffamine M-600 |
