2ABJ
Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 110.327, 114.517, 148.869 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.910 - 2.200 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.339 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.910 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.059 | 0.214 |
| Number of reflections | 94429 | |
| Completeness [%] | 98.1 | 88.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 278 | PEG4K, Ammonium Acetate, Sodium Citrate, TCEP, EDTA, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
