5GGC
Crystal structure of Mycobacterium smegmatis MutT1 in complex with phosphate and magnesium ions (excess magnesium, I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.990, 87.670, 90.680 |
Unit cell angles | 90.00, 99.93, 90.00 |
Refinement procedure
Resolution | 31.970 - 1.850 |
R-factor | 0.22481 |
Rwork | 0.223 |
R-free | 0.26724 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fjy |
RMSD bond length | 0.015 |
RMSD bond angle | 1.727 |
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] | 31.970 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 51169 | |
<I/σ(I)> | 7.6 | 1.9 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 293 | 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride, 30% w/v PEG 4000 |