8IIR
MsmUdgX H109S/Q53A double mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2021-03-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.500, 51.150, 54.960 |
| Unit cell angles | 90.00, 104.42, 90.00 |
Refinement procedure
| Resolution | 53.230 - 2.280 |
| R-factor | 0.1817 |
| Rwork | 0.179 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.551 |
| 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] | 53.230 | 2.370 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.098 | 0.315 |
| Rmeas | 0.137 | 0.436 |
| Rpim | 0.096 | 0.300 |
| Number of reflections | 9050 | 925 |
| <I/σ(I)> | 6.2 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.986 | 0.822 |
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 |
