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)) |