3ITP
Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K 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 | 2009-08-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.027, 60.296, 38.249 |
| Unit cell angles | 90.00, 92.26, 90.00 |
Refinement procedure
| Resolution | 32.280 - 1.750 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3BDC residue 34 truncated to ALA all water molecules and ligands were removed All b-factors set to 20A^2 all alternate residue conformations deleted defaulting to conformation A |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.215 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.046 | 0.323 |
| Number of reflections | 19271 | |
| <I/σ(I)> | 26.9 | |
| Completeness [%] | 93.9 | 60.1 |
| Redundancy | 7.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 29%(w/v) MPD, 25 mM Potassium Phosphate, Calcium Chloride (3 M eq), pdTp (2 M eq), 5.5 (mg protein)/mL in stock solution; 4uL protein stock and 4uL well solution per drop; 1-2 weeks of growth, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
