5FB9
S1 nuclease from Aspergillus oryzae with unoccupied active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.184, 48.595, 65.469 |
| Unit cell angles | 107.37, 90.13, 105.72 |
Refinement procedure
| Resolution | 43.050 - 1.500 |
| R-factor | 0.14963 |
| Rwork | 0.149 |
| R-free | 0.17736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | our previous model of S1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.647 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.050 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.187 |
| Number of reflections | 68828 | |
| <I/σ(I)> | 9.2 | 3.8 |
| Completeness [%] | 88.2 | 54.6 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.2 M Sodium chloride, 0.05 M Calcium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |
