3D3U
Crystal structure of 4-hydroxybutyrate CoA-transferase (abfT-2) from Porphyromonas gingivalis. Northeast Structural Genomics Consortium target PgR26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-30 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.684, 87.279, 93.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.350 - 2.800 |
R-factor | 0.20172 |
Rwork | 0.199 |
R-free | 0.25967 |
Structure solution method | SAD |
RMSD bond length | 0.033 |
RMSD bond angle | 2.806 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.350 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.112 | 0.354 |
Number of reflections | 21251 | |
<I/σ(I)> | 12.43 | 2.25 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | Protein solution: 20 mM Tris-HCl pH 7.5, 100 mM NaCl, 5 mM Acetyl-CoA. Reservoir solution: 200 mM Ammonium citrate pH 5.0, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 292K |