8SJB
Crystal structure of Zn2+ bound calprotectin variant H87C
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 | 2020-11-21 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.2822 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.436, 76.935, 106.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.420 - 1.740 |
R-factor | 0.1852 |
Rwork | 0.184 |
R-free | 0.19710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.065 |
Data reduction software | HKL-2000 |
Data scaling software | XDS |
Phasing software | PHENIX (1.2) |
Refinement software | PHENIX ((1.20_4459: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.420 | 1.910 |
High resolution limit [Å] | 1.740 | 1.870 |
Rmerge | 0.110 | |
Number of reflections | 50045 | 2106 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 99.3 | |
Redundancy | 6.6 | |
CC(1/2) | 0.998 | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES pH 8.0, 0.05 M ammonium acetate, 25% PEG 3350 |