5U5A
Coiled Coil Peptide Metal Coordination Framework: Dimer 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 | 2016-08-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 57.141, 57.141, 80.185 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.150 - 3.230 |
| R-factor | 0.3 |
| Rwork | 0.299 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dzm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.288 |
| 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] | 31.150 | 3.350 |
| High resolution limit [Å] | 3.230 | 3.230 |
| Rmerge | 0.117 | 0.298 |
| Number of reflections | 1430 | |
| <I/σ(I)> | 11 | 1.5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 7.67 | 8.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M BIS-TRIS with 2 mM terephthalic acid pH 6.5, 10 mM copper(II) chloride, 10% w/v PEG 4000 |
