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 |