5I5U
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL 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 | 2010-09-04 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.074, 105.995, 107.462 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.404 |
R-factor | 0.1705 |
Rwork | 0.167 |
R-free | 0.23350 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | In-house structure |
RMSD bond length | 0.010 |
RMSD bond angle | 1.463 |
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] | 107.462 | 107.462 | 2.530 |
High resolution limit [Å] | 2.404 | 7.600 | 2.404 |
Rmerge | 0.088 | 0.025 | 0.502 |
Number of reflections | 31398 | ||
<I/σ(I)> | 14.8 | 21.8 | 1.6 |
Completeness [%] | 99.9 | 97.7 | 100 |
Redundancy | 5.2 | 4.4 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MDL MORPHEUS SCREEN CONDITION B2, DTT |