5U5C
Coiled Coil Peptide Metal Coordination Framework: Tetramer 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 21 21 2 |
| Unit cell lengths | 114.297, 38.642, 44.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.090 - 2.100 |
| R-factor | 0.265 |
| Rwork | 0.263 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r4a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.881 |
| 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] | 29.091 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.388 |
| Number of reflections | 11924 | |
| <I/σ(I)> | 3.6 | 1.6 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 3.37 | 3.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.095 M BIS-TRIS pH 6.5, 9.5 mM copper(II) chloride, 5 mM sodium citrate pH 5.6, 0.125 M 1,6-hexanediol |
