1TOG
Hydrocinnamic acid-bound structure of SRHEPT + 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 | 2004-03-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.12 |
Spacegroup name | P 63 |
Unit cell lengths | 151.378, 151.378, 79.724 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.310 |
R-factor | 0.18723 |
Rwork | 0.185 |
R-free | 0.23151 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ahx |
RMSD bond length | 0.014 |
RMSD bond angle | 1.506 |
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] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 44493 | |
<I/σ(I)> | 28.6 | 14.4 |
Completeness [%] | 96.6 | 99.1 |
Redundancy | 7.1 | 6.7 |
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 |