3EXE
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.572, 129.617, 124.303 |
| Unit cell angles | 90.00, 92.48, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.979 |
| R-factor | 0.161 |
| Rwork | 0.158 |
| R-free | 0.20600 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.761 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 1.979 | 5.430 | 1.979 |
| Rmerge | 0.107 | 0.042 | 0.551 |
| Number of reflections | 225065 | ||
| <I/σ(I)> | 13.345 | ||
| Completeness [%] | 99.6 | 98.6 | 99 |
| Redundancy | 4.9 | 5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 12% PEG 8000, 140mM NaOAC, 50mM BisTris pH6.5, 10% glucose, 50mM Taurine, 8mM MgCl2, and 10mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
