4K5V
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L36A/V99T 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 | 2013-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.153, 60.454, 38.369 |
Unit cell angles | 90.00, 93.11, 90.00 |
Refinement procedure
Resolution | 38.310 - 1.750 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.22070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.020 |
RMSD bond angle | 1.926 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.063 | 0.056 | 0.175 |
Number of reflections | 14288 | ||
<I/σ(I)> | 14 | 12.1 | |
Completeness [%] | 99.2 | 98.5 | 97.9 |
Redundancy | 6.3 | 5.5 | 6.4 |
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 |