3DVA
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 ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.673, 232.294, 91.936 |
Unit cell angles | 90.00, 91.20, 90.00 |
Refinement procedure
Resolution | 72.170 - 2.350 |
R-factor | 0.19248 |
Rwork | 0.190 |
R-free | 0.24718 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w85 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.140 |
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] | 77.000 | 2.460 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.080 | 0.227 |
Number of reflections | 117919 | |
<I/σ(I)> | 13.9 | 5.9 |
Completeness [%] | 98.9 | 91.9 |
Redundancy | 4.2 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | The mutant crystals are obtained from sitting-drop vapour diffusion using following condition: 10-15% PEG 4K, 0.2 M imidazole malate pH 5 in the presence of 5 mM 3-deazaThDP, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |