3H5F
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-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2007-07-02 |
| Detector | MAR CCD |
| Wavelength(s) | 1.00001 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.827, 29.244, 44.460 |
| Unit cell angles | 90.00, 118.80, 90.00 |
Refinement procedure
| Resolution | 24.400 - 1.860 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jgo |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.620 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.059 | 0.211 |
| Number of reflections | 7471 | |
| <I/σ(I)> | 40.189 | |
| Completeness [%] | 98.3 | 100 |
| Redundancy | 3.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 200 mM MgCl2, 50% PEG 200, pH 6.5, VAPOR DIFFUSION, temperature 293K |
