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 |
