4WRU
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form II
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) | 0.953720 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.500, 43.650, 67.460 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 36.680 - 1.240 |
| R-factor | 0.16846 |
| Rwork | 0.166 |
| R-free | 0.20874 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.946 |
| 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] | 36.680 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.107 | 0.501 |
| Number of reflections | 55335 | |
| <I/σ(I)> | 9.1 | 2.6 |
| Completeness [%] | 99.0 | 93.5 |
| Redundancy | 5.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 293 | Ammonium acetate, Sodium acetate trihydrate,PEG 4000 |
