3R2X
Crystal structure of the de novo designed binding protein HB36.3 in complex the the 1918 influenza virus hemagglutinin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 70 |
| Detector technology | CCD |
| Collection date | 2010-07-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 130.054, 130.054, 313.735 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.745 - 3.100 |
| R-factor | 0.2245 |
| Rwork | 0.223 |
| R-free | 0.24910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.795 |
| Data reduction software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 19208 | |
| <I/σ(I)> | 19.7 | 2.19 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10% PEG8000, 200 mM magnesium chloride, 100mM Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
