3HHD
Structure of the Human Fatty Acid Synthase KS-MAT Didomain as a Framework for Inhibitor Design.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 |
| Unit cell lengths | 86.620, 91.160, 132.110 |
| Unit cell angles | 73.84, 86.83, 62.54 |
Refinement procedure
| Resolution | 45.640 - 2.150 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vz9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.001 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT (2.5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.640 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 182578 | |
| <I/σ(I)> | 24.3 | 2.5 |
| Completeness [%] | 97.5 | 94.2 |
| Redundancy | 2.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 6.5 | 294 | 0.1M MES pH 6.5, 0.1M NaCl, 12% PEG4000, microbatch under oil, temperature 294K |
