3DLX
Crystal structure of human 3-oxoacid CoA transferase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.956, 168.492, 95.322 |
Unit cell angles | 90.00, 105.86, 90.00 |
Refinement procedure
Resolution | 48.110 - 2.200 |
R-factor | 0.17887 |
Rwork | 0.178 |
R-free | 0.22473 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m3e |
RMSD bond length | 0.016 |
RMSD bond angle | 1.556 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.110 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.083 | 0.526 |
Number of reflections | 92253 | |
<I/σ(I)> | 7.4 | 1.9 |
Completeness [%] | 98.6 | 97 |
Redundancy | 2.3 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 25% PEG 3350, 0.2 M NaCl, 0.1 M Tris-HCl, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |