7RAC
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in an orthorhombic lattice
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03321 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 169.304, 176.193, 176.952 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.039 - 2.360 |
| R-factor | 0.1405 |
| Rwork | 0.139 |
| R-free | 0.17710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | M. hydrothermalis MCO |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.895 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 176.950 | 176.950 | 2.400 |
| High resolution limit [Å] | 2.360 | 12.930 | 2.360 |
| Rmerge | 0.199 | 0.083 | 0.751 |
| Rmeas | 0.207 | 0.087 | 0.783 |
| Rpim | 0.056 | 0.025 | 0.220 |
| Total number of observations | 2933251 | 17793 | 134625 |
| Number of reflections | 216725 | 1503 | 10655 |
| <I/σ(I)> | 11.8 | 21.7 | 3.9 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 13.5 | 11.8 | 12.6 |
| CC(1/2) | 0.996 | 0.997 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M CaCl2, 0.1 M Bis-Tris 6.5, 45% MPD |
