6NNA
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.110, 85.740, 86.470 |
| Unit cell angles | 65.57, 90.00, 87.00 |
Refinement procedure
| Resolution | 48.080 - 2.260 |
| R-factor | 0.2031 |
| Rwork | 0.201 |
| R-free | 0.25080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4piv |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.356 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.080 | 2.320 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.065 | 0.344 |
| Rmeas | 0.093 | 0.487 |
| Rpim | 0.065 | 0.344 |
| Number of reflections | 57291 | 4419 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 97.3 | 96.1 |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.988 | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 0.19 M ammonium sulfate, 5 mM sodium cacodylate,pH7.6 and 27 % w/v PEG 3350 |
