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 |