3PGQ
Crystal Structure of the Carboxyltransferase Domain of S. cerevisiae Acetyl CoA Carboxylase in Complex with Pinoxaden
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 | 2010-04-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.08 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 247.180, 123.415, 145.711 |
Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.800 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.303 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.020 | 2.800 |
Rmerge | 0.099 | 0.070 | 0.438 |
Number of reflections | 106428 | ||
<I/σ(I)> | 16.2 | ||
Completeness [%] | 99.3 | 98.6 | 98.9 |
Redundancy | 4.7 | 5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277.15 | 9% PEG8000, 0.1M sodium citrate pH 5.5, 10% glycerol, 0.2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |