6K80
Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Complex with CoA and Tryptophol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.636, 56.447, 84.068 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.760 - 1.280 |
R-factor | 0.1856 |
Rwork | 0.185 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3te4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (6.5) |
Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.330 |
High resolution limit [Å] | 1.280 | 2.760 | 1.280 |
Rmerge | 0.024 | 0.514 | |
Rmeas | 0.052 | 0.025 | 0.566 |
Rpim | 0.019 | 0.009 | 0.230 |
Number of reflections | 54084 | 5716 | 5124 |
<I/σ(I)> | 39.18 | ||
Completeness [%] | 99.5 | 99.6 | 95.8 |
Redundancy | 7.5 | 7.7 | 5.3 |
CC(1/2) | 1.000 | 0.844 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 1.0M NaH2PO4/1.6M K2HPO4, 0.1M Imidazole, 0.2M NaCl |