5DDK
Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with 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 | 2012-06-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.103, 109.775, 120.057 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.337 - 2.127 |
R-factor | 0.1473 |
Rwork | 0.145 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eu9 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.859 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.170 |
High resolution limit [Å] | 2.127 | 2.127 |
Number of reflections | 50048 | |
<I/σ(I)> | 22.9 | 4.1 |
Completeness [%] | 99.1 | 98 |
Redundancy | 13.6 | 13.1 |
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, 2 mM coenzyme A |