5FBG
S1 nuclease from Aspergillus oryzae, mutant D65N, in complex with phosphate, 2'-deoxycytidine and 2'-deoxyguanosine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 106.760, 106.760, 127.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.470 - 1.970 |
| R-factor | 0.15889 |
| Rwork | 0.158 |
| R-free | 0.18705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | our previous model of S1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.598 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.470 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.131 | 0.645 |
| Number of reflections | 59852 | |
| <I/σ(I)> | 9.3 | 2 |
| Completeness [%] | 99.6 | 97.6 |
| Redundancy | 5.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |
