6XNK
Crystal structure of dimeric K72A human cytochrome c alkaline conformer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-18 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 35.660, 49.595, 61.556 |
Unit cell angles | 77.97, 79.02, 90.19 |
Refinement procedure
Resolution | 42.110 - 2.080 |
R-factor | 0.1815 |
Rwork | 0.176 |
R-free | 0.23350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ty3 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.405 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.120 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.140 | 0.600 |
Number of reflections | 22075 | 1757 |
<I/σ(I)> | 3.05 | |
Completeness [%] | 90.5 | 72.4 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.9 | 293 | 30% MPD, 0.1 M CHES pH 9.9 |