4WRX
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, 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) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.890, 45.000, 122.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.870 - 1.400 |
| R-factor | 0.1248 |
| Rwork | 0.124 |
| R-free | 0.14793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.919 |
| 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] | 40.870 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.081 | 0.622 |
| Number of reflections | 40968 | |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.6 | 293 | Ammonium acetate, Sodium citrate tribasic dihydrate, PEG 4000 |
