4QKO
The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-30 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.390, 114.420, 120.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.880 - 1.800 |
| R-factor | 0.17372 |
| Rwork | 0.172 |
| R-free | 0.21514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u43 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.773 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.880 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.234 |
| Number of reflections | 83310 | |
| <I/σ(I)> | 10.2 | 2.8 |
| Completeness [%] | 100.0 | 96.4 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M Sodium Bromide, 20% PEG 3350, 0.1M Bis-Tris propane, 0.1% chymotrypsin, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
