2H12
Structure of Acetobacter aceti citrate synthase complexed with oxaloacetate and carboxymethyldethia coenzyme A (CMX)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-25 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 170.660, 125.690, 150.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.280 - 1.850 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aj8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.280 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 274629 | |
| <I/σ(I)> | 8.6 | 2.6 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.13 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 2.1 M ammonium sulfate, 150 mM sodium potassium tartrate, 35 mM sodium citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
