3SR1
Crystal structure of Staphylococcal nuclease variant Delta+PHS A69G bound to Ca2+ and thymidine-5',3'-diphosphate 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 | 2010-07-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.222, 60.652, 38.091 |
Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
Resolution | 30.330 - 1.450 |
R-factor | 0.1681 |
Rwork | 0.164 |
R-free | 0.20220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.019 |
RMSD bond angle | 1.861 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.480 |
High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
Rmerge | 0.049 | 0.036 | 0.279 |
Number of reflections | 25258 | ||
<I/σ(I)> | 17.7 | ||
Completeness [%] | 99.7 | 96.1 | 99.7 |
Redundancy | 7.1 | 7 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 25% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |