6CER
Human pyruvate dehydrogenase complex E1 component V138M mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 121.760, 123.919, 128.279 |
| Unit cell angles | 90.00, 118.12, 90.00 |
Refinement procedure
| Resolution | 35.686 - 2.690 |
| R-factor | 0.1939 |
| Rwork | 0.192 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ni4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.617 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.690 | 2.786 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.114 | 0.684 |
| Rmeas | 0.138 | 0.825 |
| Rpim | 0.076 | 0.456 |
| Number of reflections | 89293 | 9028 |
| <I/σ(I)> | 8.43 | 1.6 |
| Completeness [%] | 95.6 | 96.79 |
| Redundancy | 2.8 | 2.7 |
| CC(1/2) | 0.993 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | ammonium sulfate, PEG 3350, potassium phosphate, magnesium chloride, thiamin diphosphate |
