9N2X
Crystal Structure of LM1841
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.765, 108.501, 45.450 |
| Unit cell angles | 90.00, 112.91, 90.00 |
Refinement procedure
| Resolution | 41.860 - 1.810 |
| R-factor | 0.2094 |
| Rwork | 0.207 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.909 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.860 | 1.880 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.079 | 0.984 |
| Rpim | 0.057 | 0.720 |
| Number of reflections | 26090 | 3007 |
| <I/σ(I)> | 7.28 | 0.87 |
| Completeness [%] | 89.3 | 92.47 |
| Redundancy | 2.6 | 2.5 |
| CC(1/2) | 0.993 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Magnesium chloride, 0.1 M TRIS pH 8.5, 3.4 M 1,6-Hexanediol |
