28SX
Structure of mutated ASBT homologue from Leptospira biflexa in outward-facing form (no Bile acid)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.61993 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.819, 110.121, 74.376 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.000 - 2.590 |
| R-factor | 0.2544 |
| Rwork | 0.253 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.521 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.850 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.281 | 1.203 |
| Rmeas | 0.300 | 1.286 |
| Rpim | 0.103 | 0.449 |
| Number of reflections | 10742 | 2620 |
| <I/σ(I)> | 4.91 | |
| Completeness [%] | 99.2 | 98.26 |
| Redundancy | 8.1 | 8 |
| CC(1/2) | 0.990 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8.5 | 293 | sodium chloride 0.1M Tris 8.5 24% v/v PEG 350 MME |
