6DS2
Crystal structure of Ni(II)-bound human calprotectin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.145, 78.082, 223.787 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.480 - 2.100 |
R-factor | 0.1868 |
Rwork | 0.185 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xjk |
RMSD bond length | 0.003 |
RMSD bond angle | 0.517 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.480 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 59476 | 5815 |
<I/σ(I)> | 26.1 | 4.4 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 200 mM Li2SO4, 100 mM Tris, 20% (v/v) PEG 3350 |