1XA4
Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.09 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.595, 125.668, 69.963 |
| Unit cell angles | 90.00, 108.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.14528 |
| Rwork | 0.144 |
| R-free | 0.17554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xa3 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.459 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 70549 | |
| <I/σ(I)> | 7.71 | 3.01 |
| Completeness [%] | 98.9 | 95.5 |
| Redundancy | 3.95 | 3.7 |
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 |
