4WZ8
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.520, 138.030, 184.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 110.590 - 2.230 |
R-factor | 0.1789 |
Rwork | 0.177 |
R-free | 0.20940 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data scaling software | SCALA (3.3.9) |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 184.830 | 184.830 | 2.350 |
High resolution limit [Å] | 2.226 | 7.040 | 2.230 |
Rmerge | 0.021 | 0.497 | |
Rmeas | 0.095 | ||
Rpim | 0.040 | 0.011 | 0.274 |
Total number of observations | 582564 | 18026 | 83581 |
Number of reflections | 116347 | ||
<I/σ(I)> | 14.4 | 44.5 | 2.9 |
Completeness [%] | 98.1 | 94.3 | 99.1 |
Redundancy | 5 | 4.7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 100 mM NaCitrate, 12%(w/v) PEG8000, 150 mM LiSO4, 7.5% (v/v) glycerol, pH 5.5 |