4JQ9
Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918410 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.680, 129.320, 258.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.519 - 2.170 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ojt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.083 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.0) |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.270 |
| High resolution limit [Å] | 2.170 | 17.000 | 2.170 |
| Rmerge | 0.055 | 0.014 | 0.618 |
| Number of reflections | 198344 | ||
| <I/σ(I)> | 19.33 | 65.91 | 2.67 |
| Completeness [%] | 99.8 | 92.3 | 99.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 279 | 1.8-2 M ammonium sulfate, 0.1 M potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
