3V8I
Crystal Structure of a Drosophila melanogaster Dopamine N-Acetyltransferase
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 | 2011-03-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 1 |
Unit cell lengths | 39.838, 52.511, 67.594 |
Unit cell angles | 74.05, 90.05, 73.07 |
Refinement procedure
Resolution | 26.352 - 1.802 |
R-factor | 0.184 |
Rwork | 0.180 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3te4 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.997 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.065 | 0.039 | 0.316 |
Number of reflections | 44004 | ||
<I/σ(I)> | 13.1 | ||
Completeness [%] | 95.2 | 96.9 | 94.6 |
Redundancy | 4.1 | 3.8 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 288 | 1.0M NaH2PO4/1.6M K2HPO4, 0.1M HEPES, 0.2M NaCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 288K |