3HQT
PLP-Dependent Acyl-CoA Transferase CqsA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.165, 176.475, 70.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.360 - 2.700 |
R-factor | 0.18901 |
Rwork | 0.186 |
R-free | 0.25062 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bs0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.224 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 23440 | |
<I/σ(I)> | 11.8 | 3 |
Completeness [%] | 98.1 | 86.7 |
Redundancy | 5.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 296 | 1.25 M ammonium sulfate, 100 mM Bicine, 10 mM dithiothreitol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |