4EUC
Succinyl-CoA:acetate CoA-transferase (AarCH6-E294A) in complex with dethiaacetyl-CoA
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 | 2011-12-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.490, 104.052, 120.134 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.531 - 2.644 |
R-factor | 0.1709 |
Rwork | 0.168 |
R-free | 0.22560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.066 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.700 |
High resolution limit [Å] | 2.644 | 7.190 | 2.650 |
Rmerge | 0.140 | 0.067 | 0.754 |
Number of reflections | 29835 | ||
<I/σ(I)> | 33.9 | 60.9 | 6.2 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 14.7 | 12.9 | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 0.9 M sodium citrate, 0.1 M imidazole, 25 mM 2-mercaptoethanol, and 10 mM dethiaacetyl-CoA, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |