4UM3
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 135.490, 145.418, 234.906 |
| Unit cell angles | 90.00, 101.29, 90.00 |
Refinement procedure
| Resolution | 30.071 - 2.703 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u8m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.104 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.070 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 242584 | |
| <I/σ(I)> | 15.6 | 2.9 |
| Completeness [%] | 99.3 | 96.4 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4 |
