4WS6
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.958, 63.976, 45.225 |
| Unit cell angles | 90.00, 112.36, 90.00 |
Refinement procedure
| Resolution | 25.420 - 1.100 |
| R-factor | 0.12868 |
| Rwork | 0.128 |
| R-free | 0.14578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.673 |
| 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] | 25.420 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.067 | 0.281 |
| Number of reflections | 81890 | |
| <I/σ(I)> | 10.5 | 3.6 |
| Completeness [%] | 98.4 | 93.3 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | Sodium citrate tribasic dihydrate |
