6V3T
X-Ray Crystal Structure of Tribolium castaneum Arylalkylamine N-acyltransferase in Complex with Acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.140, 131.660, 178.361 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 89.180 - 2.840 |
| R-factor | 0.2385 |
| Rwork | 0.235 |
| R-free | 0.30830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fd6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.599 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.180 | 2.960 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.076 | 0.536 |
| Number of reflections | 41256 | 4677 |
| <I/σ(I)> | 10.5 | 2.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 200mM Sodium Citrate, 20% PEG 3000 |
