3DV0
Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.312, 232.820, 92.004 |
Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
Resolution | 72.170 - 2.500 |
R-factor | 0.17594 |
Rwork | 0.173 |
R-free | 0.24052 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w85 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.221 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.098 | 0.410 |
Number of reflections | 110687 | |
<I/σ(I)> | 11.6 | 2.9 |
Completeness [%] | 87.5 | 79.3 |
Redundancy | 4.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | 10-15% PEG 4K, 0.2 M imidazole malate pH 5 in the presence of 5 mM 3-deazaThDP. The crystals were soaked with 10mM pyruvate for 3-day, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |