9ON4
Crystal structure of Zn2+ bound Calprotectin variant I73K
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-11-30 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.480, 83.585, 109.685 |
| Unit cell angles | 90.00, 97.74, 90.00 |
Refinement procedure
| Resolution | 36.230 - 1.660 |
| R-factor | 0.1838 |
| Rwork | 0.183 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.753 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.180 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 208423 | 21436 |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 96.9 | 96.9 |
| Redundancy | 3.9 | |
| CC(1/2) | 0.995 | 0.293 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 287 | 0.1 M Bis-Tris (pH 6.0), 0.2 M MgCl2, and 18% (mass/vol) PEG 3350 |
