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 |