3BSY
PglD from Campylobacter jejuni, NCTC 11168, in complex with acetyl coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2007-03-30 |
Detector | ADSC |
Wavelength(s) | 0.97860 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.871, 91.862, 125.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.630 - 1.800 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Citrate-bound model with citrate removed (3BSW) |
RMSD bond length | 0.010 |
RMSD bond angle | 1.620 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.063 | 0.361 |
Number of reflections | 60024 | |
<I/σ(I)> | 9.7 | 32 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 8 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.3 M ammonium sulfate, 100 mM cacodylate, pH 6.5 in the resevior; protein solution containing 20 mM HEPES, 150 mM NaCl, pH 7.1, protein concentration of 10 mg/mL, acetyl coenzyme A at 5 mM; drop made by mixing 1.5 uL of protein and resevoir solutions, VAPOR DIFFUSION, SITTING DROP, temperature 277K |