6IM8
CueO-PM2 multicopper oxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.343, 90.961, 60.425 |
Unit cell angles | 90.00, 104.90, 90.00 |
Refinement procedure
Resolution | 35.881 - 1.801 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kv7 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.069 | 0.039 | 0.135 |
Rmeas | 0.081 | 0.046 | 0.158 |
Rpim | 0.043 | 0.024 | 0.082 |
Total number of observations | 171001 | ||
Number of reflections | 47465 | 2475 | 2417 |
<I/σ(I)> | 18.2 | ||
Completeness [%] | 97.6 | 98.8 | 99.9 |
Redundancy | 3.6 | 3.7 | 3.7 |
CC(1/2) | 0.994 | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 18% w/v Polyethylene glycol 4000, 10% w/v 2-Propanol, 100mM Tris pH 8, 200mM Ammonium sulfate |