5U5B
Coiled Coil Peptide Metal Coordination Framework: Trimer Fold
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-19 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 77.749, 77.749, 55.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.810 - 2.400 |
| R-factor | 0.256 |
| Rwork | 0.253 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dzl |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.040 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.810 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.096 | 0.397 |
| Number of reflections | 6926 | |
| <I/σ(I)> | 11 | 1.8 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 6.93 | 7.19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M BIS-TRIS pH 6.5, 10 mM CuCl2 |
