1L8A
E. COLI PYRUVATE DEHYDROGENASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2000-01-27 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.690, 141.600, 82.460 |
| Unit cell angles | 90.00, 102.40, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.850 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.23600 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 24.920 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.940 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.054 | 0.175 |
| Total number of observations | 528145 * | |
| Number of reflections | 146183 | |
| <I/σ(I)> | 17.9 | 3.9 |
| Completeness [%] | 92.1 | 70.2 |
| Redundancy | 3.6 | 2.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.05 | 22 * | PEG2000 monomethyl ether, propanol, sodium azide, Hepes buffer, magnesium chloride, thiamin diphosphate, pH 7.05, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 MME | 15-20 (%) | |
| 2 | 1 | reservoir | propanol | 10 (%) | |
| 3 | 1 | reservoir | 0.2 (%) | ||
| 4 | 1 | reservoir | HEPES | 60 (mM) | pH7.05 |
