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 |