5I5T
X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-03 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.030, 106.100, 107.798 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.310 |
| R-factor | 0.1705 |
| Rwork | 0.167 |
| R-free | 0.23460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | In-house structure |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 107.798 | 107.798 | 2.430 |
| High resolution limit [Å] | 2.308 | 7.300 | 2.310 |
| Rmerge | 0.093 | 0.029 | 0.497 |
| Number of reflections | 35306 | ||
| <I/σ(I)> | 14.8 | 18.1 | 1.5 |
| Completeness [%] | 99.5 | 95.4 | 99.8 |
| Redundancy | 5.4 | 4.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MDL MORPHEUS SCREEN CONDITION B2, DTT |
