5E3F
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K 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 | 2013-08-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.050, 60.562, 38.153 |
Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
Resolution | 38.110 - 1.750 |
R-factor | 0.1892 |
Rwork | 0.187 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.019 |
RMSD bond angle | 1.873 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0103) |
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 | 0.058 | 0.051 | 0.189 |
Total number of observations | 82357 | ||
Number of reflections | 14302 | ||
<I/σ(I)> | 13.7 | 7.615 | |
Completeness [%] | 99.6 | 99.2 | 99 |
Redundancy | 5.8 | 5.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 26% MPD, 25 mM potassium phosphate, calcium chloride, pdTp |