1XK6
Crystal Structure- P1 form- of Escherichia coli Crotonobetainyl-CoA: carnitine CoA Transferase (CaiB)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9802, 0.9792, 0.964 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.844, 83.167, 89.941 |
| Unit cell angles | 100.39, 110.01, 100.03 |
Refinement procedure
| Resolution | 48.540 - 1.850 |
| Rwork | 0.177 |
| R-free | 0.21500 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 149486 | |
| <I/σ(I)> | 11.2 | 2.5 |
| Completeness [%] | 93.2 | 63.8 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 22.5 % (w/v) PEG 8000, 0.1 M Tris-Cl (pH 7.0), 0.2 M Sodium acetate, VAPOR DIFFUSION, temperature 294K |
