5HT8
Crystal structure of clostrillin double mutant (S17H,S19H) in complex with nickel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-01-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 77.687, 77.687, 74.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.567 - 2.010 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iaj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.929 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 4.320 | 2.010 |
| Rmerge | 0.125 | 0.065 | 0.449 |
| Total number of observations | 63993 | ||
| Number of reflections | 7877 | ||
| <I/σ(I)> | 15.5 | ||
| Completeness [%] | 99.9 | 100 | 98.8 |
| Redundancy | 8.1 | 8 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 2.0M Ammonium Sulfate, 0.1M Bis-Tris, 5mM NiCl2 |
