5U59
Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-20 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 36.326, 52.170, 25.581 |
| Unit cell angles | 90.00, 103.98, 90.00 |
Refinement procedure
| Resolution | 26.090 - 2.200 |
| R-factor | 0.229 |
| Rwork | 0.226 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dzm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.068 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.210 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.053 | 0.212 |
| Number of reflections | 2391 | |
| <I/σ(I)> | 29 | 3.8 |
| Completeness [%] | 99.6 | 97.6 |
| Redundancy | 8.7 | 4.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M sodium citrate pH 6.0, 15% w/v PEG 4000, 3 mM copper(II) chloride |
