3PMF
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23A 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 | CCD |
| Collection date | 2010-01-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.090, 60.186, 37.987 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 32.050 - 1.600 |
| R-factor | 0.17768 |
| Rwork | 0.174 |
| R-free | 0.21263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3BDC with all H2Os Ca2+ and THP removed and the following truncations: H8A T13A V23A Q30A K64A T82A Y113A V114A Y115A; all b-factors were reset to 20A2. |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.721 |
| Data reduction software | DPS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.060 | 0.047 | 0.231 |
| Number of reflections | 17941 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 96.9 | 97.5 | 93.4 |
| Redundancy | 6.2 | 5.9 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 22% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 7.0, vapor diffusion, hanging drop, temperature 277K |
