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 |