4S3S
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K/V23A 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 | PIXEL |
Collection date | 2010-09-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.112, 59.956, 38.291 |
Unit cell angles | 90.00, 94.72, 90.00 |
Refinement procedure
Resolution | 29.980 - 1.640 |
R-factor | 0.1768 |
Rwork | 0.173 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.018 |
RMSD bond angle | 1.887 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.2.1) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.670 |
High resolution limit [Å] | 1.640 | 4.450 | 1.640 |
Rmerge | 0.044 | 0.029 | 0.165 |
Number of reflections | 16994 | ||
<I/σ(I)> | 19.7 | 11.5 | |
Completeness [%] | 98.3 | 94.5 | 89.4 |
Redundancy | 6.2 | 6 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 25% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |