7YNH
Catalytic intermediate of copper amine oxidase determined by serial femtosecond X-ray crystallography using a single-flow liquid jet system
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 299 |
| Detector technology | CCD |
| Collection date | 2020-03-13 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 192.510, 64.610, 158.240 |
| Unit cell angles | 90.00, 116.86, 90.00 |
Refinement procedure
| Resolution | 29.760 - 1.940 |
| R-factor | 0.1796 |
| Rwork | 0.178 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wa2 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.009 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 251836 | 25243 |
| <I/σ(I)> | 3.11 | |
| Completeness [%] | 100.0 | |
| Redundancy | 49.6 | |
| CC(1/2) | 0.922 | 0.527 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.4 | 289 | 1.05 M potassium/sodium tartrate in 25 mM HEPES buffer pH 7.4 |
