8J6G
Neutron structure of copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pD 9.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.220, 62.144, 92.344 |
Unit cell angles | 90.00, 112.22, 90.00 |
Refinement procedure
Resolution | 21.370 - 1.670 |
R-factor | 0.1995 |
Rwork | 0.198 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wa2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.381 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.160 |
High resolution limit [Å] | 1.090 | 3.270 | 1.090 |
Rmerge | 0.052 | 0.048 | 0.264 |
Rmeas | 0.062 | 0.057 | 0.321 |
Number of reflections | 650618 | 24756 | 102659 |
<I/σ(I)> | 9.58 | ||
Completeness [%] | 97.4 | ||
Redundancy | 3.238 | ||
CC(1/2) | 0.995 | 0.992 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 289 | 1.05 M potassium-sodium tartrate in 25 mM HEPES buffer, pH 7.4. | |
1 | MICRODIALYSIS | 289 | 1.05 M potassium-sodium tartrate in 25 mM HEPES buffer, pH 7.4. |