3QB3
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92KL25A 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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.061, 59.875, 38.269 |
| Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
| Resolution | 38.130 - 1.630 |
| R-factor | 0.1815 |
| Rwork | 0.180 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.483 |
| Data reduction software | HKL-2000 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
| Rmerge | 0.048 | 0.028 | 0.281 |
| Number of reflections | 17261 | ||
| <I/σ(I)> | 16.5 | ||
| Completeness [%] | 98.9 | 95.5 | 87 |
| Redundancy | 6 | 5.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 27% MPD, 25 mM potassium phosphate, 4.5 mg/mL (0.28 mM) protein, 0.84 mM calcium chloride, 0.56 mM pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
