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 |