3H5G
Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-03-02 |
| Detector | MAR CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.723, 29.237, 44.385 |
| Unit cell angles | 90.00, 119.60, 90.00 |
Refinement procedure
| Resolution | 14.680 - 1.710 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jgo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.143 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.060 | 0.187 |
| Number of reflections | 9096 | |
| <I/σ(I)> | 54.026 | |
| Completeness [%] | 96.5 | 91.1 |
| Redundancy | 7.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 30% PEG 200, 5% PEG 3000, pH 6.0, VAPOR DIFFUSION, temperature 293K |
