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 |
