4ALX
Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE
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 |
| Collection date | 2011-02-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 119.249, 121.308, 152.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.158 - 2.300 |
| R-factor | 0.2056 |
| Rwork | 0.203 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.126 |
| 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] | 20.100 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.560 |
| Number of reflections | 97154 | |
| <I/σ(I)> | 15.4 | 2.36 |
| Completeness [%] | 98.5 | 94.8 |
| Redundancy | 3.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2. |
