3TVU
Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 3
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 | 2008-02-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 246.985, 123.176, 146.157 |
| Unit cell angles | 90.00, 94.20, 90.00 |
Refinement procedure
| Resolution | 43.550 - 2.400 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w2x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | d*TREK (9.6L) |
| Data scaling software | d*TREK |
| Refinement software | BUSTER-TNT (BUSTER 2.9.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.590 | 48.590 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.060 | 0.034 | 0.417 |
| Number of reflections | 164546 | ||
| <I/σ(I)> | 8.9 | 19.9 | 1.9 |
| Completeness [%] | 96.5 | 99.3 | 93.8 |
| Redundancy | 3.58 | 3.65 | 3.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 298 | 100 mM NaCitrate, 12%(w/v) PEG8000, 150 mM LiSO4, 7.5% (v/v) glycerol, pH 5.5, vapor diffusion, temperature 298K |
