3DR8
Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium with its cofactor Acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-04-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.254, 71.374, 74.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.350 - 1.950 |
| R-factor | 0.157 |
| Rwork | 0.154 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | molecule A of 2BL1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.577 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.085 | 0.471 |
| Number of reflections | 28378 | |
| <I/σ(I)> | 21 | 5.3 |
| Completeness [%] | 98.0 | 96 |
| Redundancy | 6.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 295 | 1.4 M Sodium Acetate trihydrate 5.6 pH plus 5 mM Acetyl Coenzyme A, cryoprotected with N-paratone oil, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
