2G25
E. Coli Pyruvate Dehydrogenase Phosphonolactylthiamin Diphosphate Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 93 |
Detector technology | AREA DETECTOR |
Collection date | 2002-03-25 |
Detector | SIEMENS HI-STAR |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.570, 142.510, 82.090 |
Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.100 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.24400 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 1l8a |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | FBSCALE |
Data scaling software | X-GEN |
Phasing software | PHASES |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.500 | 2.190 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.065 | |
Number of reflections | 99699 | |
<I/σ(I)> | 24.82 | 5.51 |
Completeness [%] | 94.0 | 60 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG2000 MONOMETHYL ETHER, PROPANOL, SODIUM AZIDE, HEPES BUFFER, MAGNESIUM CHLORIDE, PHOSPHONOLACTYL- THIAMIN DIPHOSPHATE, PH 7.00, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |