5W1F
Crystal structure of Ni(II)- and Ca(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 | 2015-11-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.020, 77.611, 222.722 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.240 - 2.600 |
R-factor | 0.225 |
Rwork | 0.224 |
R-free | 0.26170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xjk |
RMSD bond length | 0.001 |
RMSD bond angle | 0.347 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.240 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 29660 | 2247 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 94.5 | 72.2 |
Redundancy | 5.5 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | NiCl2, HEPES, NaCl, Li2SO4, Tris, PEG 3350, CaCl2 |