4WS8
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 2-thiouracil, Form V
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 | 2013-12-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978565 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.060, 45.070, 122.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.690 - 1.400 |
| R-factor | 0.13376 |
| Rwork | 0.132 |
| R-free | 0.16757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.631 |
| 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] | 40.690 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.103 | 0.923 |
| Number of reflections | 41291 | |
| <I/σ(I)> | 9.3 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.6 | 293 | Ammonium acetate, Sodium citrate tribasic dihydrate, PEG 4000 |
