5TCW
ACC oxidase complex with nickel and acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.944, 108.136, 108.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.700 |
| R-factor | 0.22705 |
| Rwork | 0.225 |
| R-free | 0.26944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wa6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.780 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 11727 | |
| <I/σ(I)> | 18.1 | 1 |
| Completeness [%] | 99.5 | 98.5 |
| Redundancy | 14.5 | 13.6 |
| CC(1/2) | 0.999 | 0.454 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 291 | sodium dihydrogen phosphate, lithium sulfate, potasium hydrogen phosphate. CAPS pH 10.5 |
