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 |