5GIG
Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
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 | 2015-12-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.190, 56.338, 83.875 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.044 - 1.300 |
R-factor | 0.1589 |
Rwork | 0.158 |
R-free | 0.18260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.262 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.310 |
High resolution limit [Å] | 1.260 | 2.710 | 1.260 |
Rmerge | 0.061 | 0.035 | 0.677 |
Rmeas | 0.067 | 0.039 | 0.748 |
Rpim | 0.026 | 0.015 | 0.312 |
Total number of observations | 371664 | ||
Number of reflections | 56629 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 98.6 | 99.3 | 87.3 |
Redundancy | 6.6 | 6.5 | 4.8 |
CC(1/2) | 0.999 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.0M NaH2PO4/1.6M K2HPO4, 0.1M Imidazole, 0.2M NaCl |