4J6H
Crystal structure of Staphylococcal nuclease variant Delta+PHS H121Q at cryogenic temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-13 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.078, 60.475, 38.028 |
| Unit cell angles | 90.00, 93.59, 90.00 |
Refinement procedure
| Resolution | 32.170 - 1.600 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.20520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.816 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.020 | 0.223 |
| Number of reflections | 18590 | |
| <I/σ(I)> | 31.24 | 3.91 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 10.84 | 4.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
