6QRI
Structure of rabbit G-actin in complex with chivosazole A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-08 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.873 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.540, 78.619, 77.055 |
Unit cell angles | 90.00, 115.11, 90.00 |
Refinement procedure
Resolution | 49.160 - 2.400 |
R-factor | 0.238 |
Rwork | 0.236 |
R-free | 0.26830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yxq |
RMSD bond length | 0.014 |
RMSD bond angle | 1.947 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.200 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 30437 | 2925 |
<I/σ(I)> | 7 | 0.98 |
Completeness [%] | 98.8 | 95.6 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.990 | 0.470 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5 M lithium chloride, 100 mM Tris(hydroxymethyl)aminomethane hydrochloride (Tris-HCl), 28 % (w/v) polyethylenglycol 6000, pH 8.5 |