1RP7
E. COLI PYRUVATE DEHYDROGENASE INHIBITOR COMPLEX
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 | 81.550, 141.840, 82.170 |
| Unit cell angles | 90.00, 102.61, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.090 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.25200 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1l8a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.267 * |
| 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] | 40.600 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.075 | 0.203 |
| Total number of observations | 351214 * | |
| Number of reflections | 100232 | |
| <I/σ(I)> | 16.65 | 3.84 |
| Completeness [%] | 93.2 | 55.1 |
| Redundancy | 3.5 | 1.23 |
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-THIAZOLONE DIPHOSPHATE, pH 7.05, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 15-20 (%) | ||
| 2 | 1 | reservoir | 5-10 (%) | ||
| 3 | 1 | reservoir | 0.2 (%) | ||
| 4 | 1 | reservoir | 100 (mM) | pH7.05 |
