3LQ2
E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-03-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.650, 141.770, 83.420 |
| Unit cell angles | 90.00, 103.36, 90.00 |
Refinement procedure
| Resolution | 41.320 - 1.960 |
| Rwork | 0.194 |
| R-free | 0.22300 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2iea |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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] | 41.320 | 2.080 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.095 | 0.402 |
| Number of reflections | 116103 | |
| <I/σ(I)> | 19.62 | 5.5 |
| Completeness [%] | 89.0 | 70 |
| Redundancy | 3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG2000 MONOMETHYL ETHER, PROPANOL,SODIUM AZIDE, HEPES BUFFER, MAGNESIUM CHLORIDE, THIAMIN DIPHOSPHATE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
