4K42
Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.650, 67.343, 207.853 |
Unit cell angles | 90.00, 92.42, 90.00 |
Refinement procedure
Resolution | 49.192 - 2.900 |
R-factor | 0.2299 |
Rwork | 0.228 |
R-free | 0.27130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.865 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 28543 | |
Completeness [%] | 84.2 | 83.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M BIS-TRIS pH 5.5, 25% Polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |