6TR6
N-acetylserotonin-Notum complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.04 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.510, 72.730, 77.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 1.350 |
R-factor | 0.1812 |
Rwork | 0.181 |
R-free | 0.19280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uzq |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | xia2 |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.730 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 72849 | 2717 |
<I/σ(I)> | 23.3 | |
Completeness [%] | 97.4 | |
Redundancy | 10.9 | |
CC(1/2) | 1.000 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 300 | 1.5 M ammonium sulphate 0.1 M sodium citrate pH 4.2. |