4K19
The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 114.200, 114.200, 119.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.950 - 2.740 |
| R-factor | 0.24158 |
| Rwork | 0.236 |
| R-free | 0.29397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.081 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.740 | 5.920 | 2.750 |
| Rmerge | 0.083 | 0.032 | 0.345 |
| Number of reflections | 21299 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 14.4 | 13.2 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 1.2M ammonium sulfate, 0.2M lithium sulfate, 0.1M sodium chloride, 0.1M sodium acetate , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
