3MXP
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A 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 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.043, 60.498, 38.059 |
| Unit cell angles | 90.00, 93.01, 90.00 |
Refinement procedure
| Resolution | 32.180 - 1.610 |
| R-factor | 0.201 |
| Rwork | 0.196 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3BDC with all H2Os Ca2+ and THP removed and the following truncations: H8A T13A Q30A T62A K64A T82A Y113A V114A Y115A; all b-factors were reset to 20 A^2. |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.684 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
| Rmerge | 0.092 | 0.064 | 0.270 |
| Number of reflections | 18151 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 99.9 | 99.8 | 98.5 |
| Redundancy | 8.7 | 11 | 5.8 |
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 |
