3TE4
Crystal structure of dopamine N Acetyltransferase in complex with acetyl-COA from Drosophila Melanogaster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.96369 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.029, 56.624, 83.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.610 - 1.460 |
| R-factor | 0.143 |
| Rwork | 0.140 |
| R-free | 0.19800 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.494 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.058 | 0.205 |
| Number of reflections | 36678 | |
| <I/σ(I)> | 23.4 | 9.25 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 5.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 1.0M NAH2PO4/1.6M K2HPO4, 0.1M IMIDAZOLE, 0.2M NACL , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
