4GGF
Crystal structure of Mn2+ bound calprotectin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 82.027, 217.002, 53.022 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.640 - 1.600 |
| R-factor | 0.17796 |
| Rwork | 0.177 |
| R-free | 0.20182 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xk4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.684 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 | 1.700 |
| High resolution limit [Å] | 1.600 | 2.400 | 1.600 |
| Rmerge | 0.112 | ||
| Number of reflections | 124149 | ||
| <I/σ(I)> | 16.81 | ||
| Completeness [%] | 98.4 | 100 | 90.6 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 3350, lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
