6IM7
CueO-12.1 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 | C 1 2 1 |
| Unit cell lengths | 76.111, 100.731, 59.044 |
| Unit cell angles | 90.00, 96.17, 90.00 |
Refinement procedure
| Resolution | 29.350 - 1.970 |
| R-factor | 0.1422 |
| Rwork | 0.140 |
| R-free | 0.18440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kv7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| 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] | 30.000 | 30.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 5.340 | 1.970 |
| Rmerge | 0.035 | 0.015 | 0.204 |
| Rmeas | 0.041 | 0.017 | 0.243 |
| Rpim | 0.021 | 0.009 | 0.130 |
| Total number of observations | 115207 | ||
| Number of reflections | 31017 | 1583 | 1517 |
| <I/σ(I)> | 19.7 | ||
| Completeness [%] | 99.9 | 99.7 | 99.5 |
| Redundancy | 3.7 | 3.7 | 3.4 |
| CC(1/2) | 0.999 | 0.956 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 20% w/v Polyethylene glycol 3000, 100mM TRIS pH 7, 200mM Calcium acetate |
