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 |