4EU6
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA, acetate, and covalent acetylglutamyl anhydride and glutamyl-CoA thioester adducts
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.168, 110.414, 119.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.745 - 1.988 |
R-factor | 0.1666 |
Rwork | 0.164 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.047 |
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 | 2.020 |
High resolution limit [Å] | 1.988 | 5.400 | 1.990 |
Rmerge | 0.110 | 0.036 | 0.530 |
Number of reflections | 61848 | ||
<I/σ(I)> | 34.1 | 75.1 | 7.2 |
Completeness [%] | 99.7 | 99.7 | 99.1 |
Redundancy | 12.7 | 13.4 | 12.1 |
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 2 mM acetyl-CoA, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |