3UE7
X-ray crystal structure of a novel topological analogue of crambin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.447, 43.901, 28.716 |
| Unit cell angles | 90.00, 108.68, 90.00 |
Refinement procedure
| Resolution | 27.210 - 1.080 |
| R-factor | 0.1456 |
| Rwork | 0.144 |
| R-free | 0.17617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1crn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.917 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.102 | 0.310 |
| Number of reflections | 26080 | |
| <I/σ(I)> | 15.3 | 2.4 |
| Completeness [%] | 97.1 | 77 |
| Redundancy | 5.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 100 mM imidazole, 200 mM Zinc chloride, 7.5% Ethanol, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
