8EDD
Staphylococcus aureus endonuclease IV Y33F mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 150 |
Detector technology | PIXEL |
Collection date | 2022-02-25 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.477, 41.987, 152.773 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.490 - 1.500 |
R-factor | 0.1721 |
Rwork | 0.170 |
R-free | 0.20380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8axy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.755 |
Data reduction software | DIALS (3.dev.683) |
Data scaling software | xia2 (3.9.dev0) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 152.770 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.181 | 3.394 |
Rmeas | 0.189 | 3.527 |
Rpim | 0.052 | 0.955 |
Number of reflections | 41699 | 2173 |
<I/σ(I)> | 7.3 | 0.4 |
Completeness [%] | 100.0 | 99.86 |
Redundancy | 13.19 | 13.51 |
CC(1/2) | 0.998 | 0.305 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Protein in 20 mM phosphate. Precipitant: 20-30% polyethylene glycol 3350, 200 mM NaCl, 100 mM BisTris, pH 6.5 |