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 |