1XVV
Crystal Structure of CaiB mutant D169A in complex with carnitinyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.627, 86.627, 163.863 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.090 - 2.400 |
| R-factor | 0.20772 |
| Rwork | 0.205 |
| R-free | 0.25228 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xk6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Number of reflections | 31586 | |
| <I/σ(I)> | 19.4 | 5.86 |
| Completeness [%] | 99.8 | |
| Redundancy | 9.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 1.35M Sodium citrate, 0.1M Tris-Cl (pH 7.0), VAPOR DIFFUSION, temperature 21K |
