8IIQ
MsmUdgX H109S/E52N 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 | 2022-02-24 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.550, 51.460, 54.690 |
| Unit cell angles | 90.00, 104.92, 90.00 |
Refinement procedure
| Resolution | 29.120 - 2.100 |
| R-factor | 0.1887 |
| Rwork | 0.186 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.967 |
| 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] | 36.870 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.132 | 0.371 |
| Rmeas | 0.177 | 0.492 |
| Rpim | 0.117 | 0.320 |
| Number of reflections | 10962 | 936 |
| <I/σ(I)> | 5.5 | 2.6 |
| Completeness [%] | 94.6 | 100 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.979 | 0.811 |
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 |
