5E3F
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.050, 60.562, 38.153 |
| Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
| Resolution | 38.110 - 1.750 |
| R-factor | 0.1892 |
| Rwork | 0.187 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.873 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.058 | 0.051 | 0.189 |
| Total number of observations | 82357 | ||
| Number of reflections | 14302 | ||
| <I/σ(I)> | 13.7 | 7.615 | |
| Completeness [%] | 99.6 | 99.2 | 99 |
| Redundancy | 5.8 | 5.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 26% MPD, 25 mM potassium phosphate, calcium chloride, pdTp |
