3P75
Crystal structure of Staphylococcal nuclease variant Delta+PHS V104D 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 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.000, 60.791, 36.838 |
| Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
| Resolution | 30.940 - 1.900 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3BDC with residue 104 truncated to Ala and all b-factors set to 20 A^2. Only conformation A was selected for residues with multiple conformations. |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.023 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.071 | 0.043 | 0.534 |
| Number of reflections | 15431 | ||
| <I/σ(I)> | 19.4 | ||
| Completeness [%] | 94.9 | 97.7 | 68.6 |
| Redundancy | 7.5 | 6.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 277 | 35% MPD(w/v), 25 mM CHES, Calcium Chloride, pdTp, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
