6U0X
Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature
Replaces: 6OKAExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2018-04-19 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.853, 60.715, 38.119 |
Unit cell angles | 90.00, 92.65, 90.00 |
Refinement procedure
Resolution | 38.080 - 1.860 |
R-factor | 0.2111 |
Rwork | 0.208 |
R-free | 0.27170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdc |
RMSD bond length | 0.013 |
RMSD bond angle | 1.619 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.1) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.080 | 38.080 | 1.900 |
High resolution limit [Å] | 1.860 | 8.300 | 1.860 |
Rmerge | 0.038 | 0.026 | 0.152 |
Rmeas | 0.046 | 0.032 | 0.201 |
Total number of observations | 34575 | ||
Number of reflections | 11140 | 139 | 427 |
<I/σ(I)> | 18.37 | 30.71 | 4.62 |
Completeness [%] | 93.1 | 95.9 | 47.7 |
Redundancy | 3.104 | 2.878 | 1.951 |
CC(1/2) | 0.998 | 0.996 | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% MPD, 25 mM potassium phosphate, calcium chloride, THP |