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 |