5I5Y
X-RAY CRYSTAL STRUCTURE AT 1.81A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH AN ARYL ACETATE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-16 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.920, 109.920, 59.918 |
| Unit cell angles | 90.00, 96.98, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.810 |
| R-factor | 0.1517 |
| Rwork | 0.150 |
| R-free | 0.18970 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | In-house structure |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.373 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.840 |
| High resolution limit [Å] | 1.810 | 4.912 | 1.810 |
| Rmerge | 0.069 | 0.043 | 0.210 |
| Number of reflections | 67880 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 98.6 | 92.4 | 97.5 |
| Redundancy | 3.5 | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MDL MORPHEUS SCREEN CONDITION B2, DTT |
