4WRY
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil(B), Form I
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) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.990, 63.390, 45.230 |
| Unit cell angles | 90.00, 114.06, 90.00 |
Refinement procedure
| Resolution | 41.300 - 1.430 |
| R-factor | 0.11088 |
| Rwork | 0.108 |
| R-free | 0.15779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.974 |
| 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] | 41.300 | 1.510 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.061 | 0.294 |
| Number of reflections | 35414 | |
| <I/σ(I)> | 13.7 | 3.6 |
| Completeness [%] | 97.8 | 87.5 |
| Redundancy | 4.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | Sodium citrate tribasic dihydrate |
