4KE2
Crystal structure of the hyperactive Type I antifreeze from winter flounder
Experimental procedure
| Experimental method | MIR |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-11 |
| Detector | ADSC Q270 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.820, 48.140, 182.540 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 47.880 - 1.800 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.25300 |
| Structure solution method | MIR |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.949 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.126 | 1.225 |
| Number of reflections | 77118 | |
| <I/σ(I)> | 11.64 | 1.77 |
| Completeness [%] | 99.3 | 98.6 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.6 | 277 | 0.2 M NaSCN, 12.5% PEG 3350, 100mM Arginine, pH 9.6, vapor diffusion, hanging drop, temperature 277K |
