3S9W
Crystal structure of Staphylococcal nuclease variant Delta+PHS M98G bound to Ca2+ and thymidine-5',3'-diphosphate 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 | 2009-09-19 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.207, 60.531, 38.354 |
| Unit cell angles | 90.00, 93.13, 90.00 |
Refinement procedure
| Resolution | 38.300 - 1.900 |
| R-factor | 0.1732 |
| Rwork | 0.171 |
| R-free | 0.21150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.642 |
| Data reduction software | DENZO |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.053 | 0.027 | 0.247 |
| Number of reflections | 11311 | ||
| <I/σ(I)> | 14.9 | ||
| Completeness [%] | 98.9 | 94.3 | 90.4 |
| Redundancy | 3.9 | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
