4PIV
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.221, 85.761, 85.995 |
| Unit cell angles | 65.49, 89.96, 87.22 |
Refinement procedure
| Resolution | 28.550 - 2.299 |
| R-factor | 0.2162 |
| Rwork | 0.214 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.117 |
| Data scaling software | SCALA |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | REFMAC (5.6.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.227 | 78.227 | 2.350 |
| High resolution limit [Å] | 2.227 | 7.040 | 2.227 |
| Rmerge | 0.025 | 0.437 | |
| Rmeas | 0.079 | ||
| Rpim | 0.040 | 0.018 | 0.310 |
| Total number of observations | 233271 | 7001 | 34345 |
| Number of reflections | 60106 | ||
| <I/σ(I)> | 13 | 35.3 | 2.6 |
| Completeness [%] | 98.1 | 97.3 | 97.5 |
| Redundancy | 3.9 | 3.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 25% PEG3350, 0.19 M ammonium sulfate, 5 mM sodium cacodylate, pH 7.6 |
