4ZR6
Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 88 |
Detector technology | CCD |
Collection date | 2014-12-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.924, 78.100, 120.502 |
Unit cell angles | 90.00, 102.32, 90.00 |
Refinement procedure
Resolution | 44.259 - 2.600 |
R-factor | 0.2128 |
Rwork | 0.210 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 4ZJT & 4ZK1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.007 | 50.000 | 2.540 |
High resolution limit [Å] | 2.511 | 6.780 | 2.500 |
Rmerge | 0.172 | ||
Rpim | 0.036 | 0.368 | |
Number of reflections | 41678 | ||
<I/σ(I)> | 25.2 | ||
Completeness [%] | 100.0 | ||
Redundancy | 5.2 | ||
CC(1/2) | 0.995 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291.15 | 0.02 M calcium chloride dihydrate, 0.1 M sodium acetate trihydrate, pH 4.6, 30% v/v MPD |