6K3D
Structure of multicopper oxidase mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | I 41 |
Unit cell lengths | 102.948, 102.948, 118.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.933 - 1.919 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.20990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3aw5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.181 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.950 |
High resolution limit [Å] | 1.919 | 5.210 | 1.920 |
Rmerge | 0.106 | 0.059 | 1.379 |
Rmeas | 0.113 | 0.063 | 1.481 |
Rpim | 0.041 | 0.023 | 0.537 |
Number of reflections | 47159 | 2403 | 2322 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.6 | 7.4 | 7.6 |
CC(1/2) | 0.997 | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | PEG 1500, MMT buffer |