2G28
E. Coli Pyruvate Dehydrogenase H407A variant Phosphonolactylthiamin Diphosphate Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00013 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.990, 143.200, 82.530 |
Unit cell angles | 90.00, 102.61, 90.00 |
Refinement procedure
Resolution | 41.770 - 1.850 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.24000 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 1l8a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.770 | 1.670 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.076 | |
Number of reflections | 213020 | |
<I/σ(I)> | 12.26 | 1.46 |
Completeness [%] | 79.4 | 32.8 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.05 | 291 | PEG2000 MONOMETHYL ETHER, PROPANOL, SODIUM AZIDE, HEPES BUFFER, MAGNESIUM CHLORIDE, PHOSPHONOLACTYL- THIAMIN DIPHOSPHATE, PH 7.00, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K, pH 7.05 |