4WYO
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.394, 137.788, 184.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.310 - 2.890 |
R-factor | 0.1571 |
Rwork | 0.154 |
R-free | 0.20700 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data scaling software | SCALA (3.3.9) |
Refinement software | BUSTER-TNT (BUSTER 2.9.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.310 | 137.788 | 3.040 |
High resolution limit [Å] | 2.887 | 9.130 | 2.890 |
Rmerge | 0.027 | 0.489 | |
Rmeas | 0.140 | ||
Rpim | 0.058 | 0.013 | 0.249 |
Total number of observations | 262227 | 8500 | 38678 |
Number of reflections | 48997 | ||
<I/σ(I)> | 12.5 | 37.8 | 3.2 |
Completeness [%] | 90.2 | 84.3 | 92.6 |
Redundancy | 5.4 | 5.4 | 5.3 |
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 |