3SR1
Crystal structure of Staphylococcal nuclease variant Delta+PHS A69G 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 | 2010-07-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.222, 60.652, 38.091 |
| Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
| Resolution | 30.330 - 1.450 |
| R-factor | 0.1681 |
| Rwork | 0.164 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.861 |
| 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 | 1.480 |
| High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
| Rmerge | 0.049 | 0.036 | 0.279 |
| Number of reflections | 25258 | ||
| <I/σ(I)> | 17.7 | ||
| Completeness [%] | 99.7 | 96.1 | 99.7 |
| Redundancy | 7.1 | 7 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 25% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
