1DJU
CRYSTAL STRUCTURE OF AROMATIC AMINOTRANSFERASE FROM PYROCOCCUS HORIKOSHII OT3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 286 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1998-05-10 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.010, 124.870, 128.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.25400 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 3.240 |
| Data reduction software | MADNESS |
| Data scaling software | MERGEF |
| Phasing software | MIRPHS |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.046 | 0.184 |
| Total number of observations | 359213 * | |
| Number of reflections | 57422 | |
| Completeness [%] | 90.5 | 70.1 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1,6-HEXANE-DI-OL, MAGNESIUM CHLORIDE, PYRIDOXAL-5'-PHOSPHATE, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 1,6-hexane-di-ol | 3 (M) | |
| 2 | 1 | drop | HEPES | 100 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | ArATPh | 1.6 (%) | |
| 5 | 1 | drop | pyridoxal-5'-phosphate | 0.02 (mM) | |
| 6 | 1 | reservoir | 1,6-hexane-di-ol | 3 (M) |
