5HLO
Crystal structure of calcium and zinc-bound human S100A8 in space group C2221
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.980, 90.030, 196.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.200 - 2.100 |
R-factor | 0.1794 |
Rwork | 0.178 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mr8 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.521 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1702) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 29069 | |
<I/σ(I)> | 16.47 | 3.04 |
Completeness [%] | 98.5 | 97.8 |
Redundancy | 8 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 5 mM ZnCl2, 0.1 M Na cacodylate pH 6.5, 8% PEG 8000 |