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 |