6WFO
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2019-05-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.870, 102.630, 67.500 |
| Unit cell angles | 90.00, 106.08, 90.00 |
Refinement procedure
| Resolution | 54.830 - 1.850 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.24000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS (autoPROC) |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.860 | 2.070 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.069 | 0.597 |
| Number of reflections | 33141 | 1657 |
| <I/σ(I)> | 9 | 1.6 |
| Completeness [%] | 90.7 | 64.7 |
| Redundancy | 3.2 | |
| CC(1/2) | 0.998 | 0.614 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.77 | 294 | Naa50 apo protein (13.0 mg/ml) was incubated with 4b and AcCoA in a 1:3:3 molar ratio on ice for 60 min. Reservoir solution of 0.1 M Bis_tris, pH 5.77 and 24% w/v PEG 3350 was mixed 0.2ul:0.2ul with Naa50:4b:AcCoA complex |
