3SNF
Onconase, atomic resolution crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.234, 38.157, 68.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.574 - 1.100 |
| R-factor | 0.1623 |
| Rwork | 0.161 |
| R-free | 0.18260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1onc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.766 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 30093 | |
| <I/σ(I)> | 22.4 | 2.8 |
| Completeness [%] | 85.1 | 68 |
| Redundancy | 3.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 2.2M ammonium sulfate, 0.25% PEG 4000, 0.01M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
