4KJN
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V66A/V99T 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 | 2011-09-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.078, 60.042, 38.478 |
| Unit cell angles | 90.00, 94.88, 90.00 |
Refinement procedure
| Resolution | 38.340 - 1.550 |
| R-factor | 0.1809 |
| Rwork | 0.178 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.981 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.044 | 0.049 | 0.121 |
| Number of reflections | 20536 | ||
| <I/σ(I)> | 24 | 16.4 | |
| Completeness [%] | 99.2 | 95.2 | 100 |
| Redundancy | 6.3 | 5.9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
