6CFO
HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.270, 120.730, 129.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.575 - 2.700 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ni4 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.922 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.575 | 2.860 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.096 | 0.275 |
Number of reflections | 44058 | |
<I/σ(I)> | 14.89 | 5.28 |
Completeness [%] | 98.3 | 98.3 |
Redundancy | 6.966 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG 3350, SODIUM THIOCYANATE, MAGNESIUM CHLORIDE, THIAMIN PYROPHOSPHATE, ACETYL PHOSPHINATE, |