4QVT
Crystal structure of predicted N-acyltransferase (ypeA) in complex with acetyl-CoA from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.334, 139.968, 75.358 |
| Unit cell angles | 90.00, 112.11, 90.00 |
Refinement procedure
| Resolution | 69.980 - 1.948 |
| R-factor | 0.19033 |
| Rwork | 0.188 |
| R-free | 0.23236 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pdo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.871 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.984 | 1.980 |
| High resolution limit [Å] | 1.948 | 1.948 |
| Rmerge | 0.073 | 0.460 |
| Number of reflections | 92573 | |
| <I/σ(I)> | 33.8 | 2.05 |
| Completeness [%] | 98.6 | 95.2 |
| Redundancy | 4.6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 0.2 M lithium sulfate, 25% w/v PEG3350, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
