8III
Complex form of MsmUdgX H109C mutant and uracil- obtained from uracil DNA (ttUtt) post its cleavage by MsmUdgX H109C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2021-07-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.480, 51.370, 54.990 |
Unit cell angles | 90.00, 104.72, 90.00 |
Refinement procedure
Resolution | 26.470 - 1.720 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.013 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.120 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.085 | 0.515 |
Rmeas | 0.119 | 0.718 |
Rpim | 0.083 | 0.499 |
Number of reflections | 18866 | 1117 |
<I/σ(I)> | 7.4 | 2.1 |
Completeness [%] | 89.7 | 100 |
Redundancy | 3.3 | 3.2 |
CC(1/2) | 0.991 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 295 | 2.0M Ammonium citrate tribasic pH7.0, 0.1M BIS-TRIS propane pH7.0 |