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 |
