4KHV
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23S 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 | 2013-02-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.145, 60.403, 37.914 |
Unit cell angles | 90.00, 93.68, 90.00 |
Refinement procedure
Resolution | 32.060 - 1.600 |
R-factor | 0.1713 |
Rwork | 0.169 |
R-free | 0.20670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.016 |
RMSD bond angle | 1.740 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.054 | 0.047 | 0.217 |
Number of reflections | 18541 | ||
<I/σ(I)> | 11.5 | 7.8 | |
Completeness [%] | 99.7 | 99.3 | 97.4 |
Redundancy | 6.4 | 6.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 26% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |