4NDX
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92N 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 | 2012-09-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.248, 60.577, 38.283 |
| Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
| Resolution | 38.230 - 1.496 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.954 |
| Data reduction software | DENZO |
| 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 | 1.530 |
| High resolution limit [Å] | 1.496 | 4.070 | 1.496 |
| Rmerge | 0.054 | 0.049 | 0.223 |
| Number of reflections | 22875 | ||
| <I/σ(I)> | 13.9 | 6.6 | |
| Completeness [%] | 99.4 | 97.5 | 97.1 |
| Redundancy | 6.1 | 6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
