3KCS
Crystal structure of PAmCherry1 in the dark state
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9791 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.174, 83.745, 99.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.158 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.087 | 0.065 | 0.431 |
| Number of reflections | 45776 | ||
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 98.6 | 99.4 | 89.1 |
| Redundancy | 5.9 | 6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG4000, 0.1 M Tris HCl, 0.2 M magnesium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
