1TOI
Hydrocinnamic acid-bound structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.789, 154.845, 77.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.17461 |
| Rwork | 0.173 |
| R-free | 0.19689 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ahx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.174 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 38227 | |
| <I/σ(I)> | 26.2 | 6.5 |
| Completeness [%] | 94.6 | 82.1 |
| Redundancy | 3.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | potassium phosphate, PLP, EDTA, DTT, PEG 400, N-methylmorpholine, ammonium sulfate, hydrocinnamic acid, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
