3LQ4
E. coli pyruvate dehydrogenase complex E1 E235A mutant with high 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 | 82.210, 142.220, 82.850 |
| Unit cell angles | 90.00, 101.87, 90.00 |
Refinement procedure
| Resolution | 32.520 - 1.980 |
| Rwork | 0.199 |
| R-free | 0.23600 |
| 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] | 32.520 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.106 | 0.308 |
| Number of reflections | 108180 | |
| <I/σ(I)> | 22.15 | 9.6 |
| Completeness [%] | 84.0 | 85.4 |
| Redundancy | 2.7 | 2 |
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 |
