3RUZ
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74K 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 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.000, 60.263, 74.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.700 - 1.580 |
R-factor | 0.1785 |
Rwork | 0.175 |
R-free | 0.20670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.014 |
RMSD bond angle | 1.675 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.2.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
Rmerge | 0.073 | 0.039 | 0.381 |
Number of reflections | 20367 | ||
<I/σ(I)> | 12.3 | ||
Completeness [%] | 99.8 | 98.5 | 99.4 |
Redundancy | 13.5 | 12.8 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |