4D49
Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.570, 51.730, 107.610 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.090 |
| R-factor | 0.20357 |
| Rwork | 0.201 |
| R-free | 0.25454 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ARM00016 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.795 |
| Data reduction software | XDS |
| Data scaling software | SCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.170 | 1.500 |
| Number of reflections | 106706 | |
| <I/σ(I)> | 5.01 | 1.37 |
| Completeness [%] | 95.7 | 97.4 |
| Redundancy | 2.26 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | PROTEIN WAS CRYSTALLIZED AT PH 8.5 / 0.2M MAGNESIUM CHLORIDE / 0.1 M TRIS HCL / 10 % W/V PEG 8000 / 10 % W/V PEG 1000. PRIOR TO CRYSTALLIZATION, 1.5 MOLAR EXCESS OF PEPTIDE (RR)5 |
