4EU3
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with citrate (subunit B) or unliganded (subunit A)
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 | 2010-03-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.478, 110.347, 119.837 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.234 - 1.580 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.068 |
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 | 1.610 |
High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
Rmerge | 0.103 | 0.032 | 0.442 |
Number of reflections | 121024 | ||
<I/σ(I)> | 21.4 | 76.1 | 2.1 |
Completeness [%] | 98.4 | 100 | 86 |
Redundancy | 12.4 | 14.2 | 4.9 |
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, and 25 mM 2-mercaptoethanol, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |