5I0C
Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12
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 | 2014-04-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.690, 87.840, 41.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.190 - 1.920 |
| R-factor | 0.21782 |
| Rwork | 0.216 |
| R-free | 0.26595 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.223 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.190 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.038 | 0.590 |
| Number of reflections | 7731 | |
| <I/σ(I)> | 27.9 | 2.9 |
| Completeness [%] | 98.9 | 99.6 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES, 5 mM Cobalt Chloride, 5 mM Magnesium Chloride, 0.5 mM Cadmium Chloride, 0.5 mM Nickel Chloride, 12 % (w/v) PEG3350, 25 Sucrose, 1 mM AcCoA |
