5MFI
Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.800, 89.250, 107.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.040 - 1.450 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.040 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.117 | 5.435 |
| Number of reflections | 87337 | |
| <I/σ(I)> | 15.1 | 0.52 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.1 | 12.5 |
| CC(1/2) | 0.999 | 0.120 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 25% PEG 2000 MME, 0.3 M Na Acetate, 0.1M Na Acetate, pH5.5 |
