3ZDH
Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 137.334, 143.822, 115.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.684 - 2.195 |
| R-factor | 0.1921 |
| Rwork | 0.191 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zdg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.103 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.680 | 2.310 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.140 | 0.830 |
| Number of reflections | 115372 | |
| <I/σ(I)> | 9.2 | 2.2 |
| Completeness [%] | 98.7 | 93.8 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400 |
