5XD5
Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP, magnesium fluoride and phosphate
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 | 2015-11-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.050, 64.440, 103.040 |
| Unit cell angles | 90.00, 102.59, 90.00 |
Refinement procedure
| Resolution | 54.260 - 1.750 |
| R-factor | 0.16824 |
| Rwork | 0.166 |
| R-free | 0.20503 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gg5 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.851 |
| 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] | 54.260 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 64503 | 9244 |
| <I/σ(I)> | 12.2 | 2.1 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | 0.2M sodium acetate trihydrate, 0.1M Tris-HCl pH 8.5, 30%(w/v) PEG4000 |
