5XD4
Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP (II)
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 | 41.950, 84.180, 43.420 |
| Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
| Resolution | 43.340 - 1.470 |
| R-factor | 0.12477 |
| Rwork | 0.123 |
| R-free | 0.16049 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gg5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.655 |
| 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] | 43.340 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 50952 | 7339 |
| <I/σ(I)> | 10 | 1.6 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 4.2 | 3.9 |
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 |
