6TR5
Melatonin-Notum complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.259, 73.165, 79.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.680 - 1.509 |
| R-factor | 0.1979 |
| Rwork | 0.196 |
| R-free | 0.22560 |
| 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] | 73.170 | 1.540 |
| High resolution limit [Å] | 1.509 | 1.510 |
| Number of reflections | 55371 | 2562 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 99.6 | |
| Redundancy | 11 | |
| CC(1/2) | 1.000 | 0.540 |
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 |
