3FKZ
X-ray structure of the non covalent swapped form of the S16G/T17N/A19P/A20S/K31C/S32C mutant of bovine pancreatic ribonuclease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-09 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.140, 57.460, 58.500 |
| Unit cell angles | 90.00, 90.22, 90.00 |
Refinement procedure
| Resolution | 28.730 - 1.990 |
| R-factor | 0.194 |
| Rwork | 0.188 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kf3 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.080 | 0.285 |
| Number of reflections | 15901 | |
| <I/σ(I)> | 21 | 5 |
| Completeness [%] | 90.7 | 56.5 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG 4000, 0.2M lithium sulfate, 0.1M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
