4QAE
Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 2.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 126.894, 126.894, 156.707 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.180 - 2.100 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20650 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.595 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.000 | 35.000 | 2.160 |
| High resolution limit [Å] | 2.100 | 9.440 | 2.100 |
| Rmerge | 0.083 | 0.034 | 0.668 |
| Number of reflections | 162157 | 1802 | 11862 |
| <I/σ(I)> | 19.1 | 49.81 | 2.83 |
| Completeness [%] | 99.8 | 97.9 | 98.8 |
| Redundancy | 10.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROPS | 6.6 | 293 | 0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K |
