5FBC
S1 nuclease from Aspergillus oryzae in complex with 2'-deoxyadenosine-5'-thio-monophosphate (5'dAMP(S)).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.894, 62.585, 48.242 |
| Unit cell angles | 90.00, 106.97, 90.00 |
Refinement procedure
| Resolution | 46.140 - 1.750 |
| R-factor | 0.1331 |
| Rwork | 0.131 |
| R-free | 0.18111 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | our previous model of S1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.678 |
| 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] | 46.140 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.101 | 0.663 |
| Number of reflections | 24085 | |
| <I/σ(I)> | 10.7 | 2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.5 | 3.5 |
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 |
