1XA3
Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.580, 129.802, 69.792 |
| Unit cell angles | 90.00, 109.48, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.14515 |
| Rwork | 0.143 |
| R-free | 0.17821 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.485 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.092 | |
| Number of reflections | 76742 | |
| <I/σ(I)> | 5.82 | 3.46 |
| Completeness [%] | 96.8 | 89.4 |
| Redundancy | 3.76 | 3.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG 3350, Ammonium Sulphate, Glycerol, Sodium Chloride, Bis-tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
