1IK6
3D structure of the E1beta subunit of pyruvate dehydrogenase from the archeon Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 1999-10-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.072 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.241, 84.543, 131.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.212 * |
| Rwork | 0.212 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1QS0 Beta-chain |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.257 |
| Number of reflections | 22189 | |
| <I/σ(I)> | 22 | |
| Completeness [%] | 89.4 | 96 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | Peg 400, Calcium Chloride, Sodium Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 27 (mg/ml) | |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
| 4 | 1 | reservoir | PEG400 | 28 (%(w/v)) |
