9B8E
Structure of S-nitrosylated Legionella pneumophila Ceg10.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97911 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 103.416, 115.836, 40.878 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.220 - 1.400 |
R-factor | 0.1649 |
Rwork | 0.165 |
R-free | 0.18360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.907 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.058 | 0.033 | 0.887 |
Rmeas | 0.061 | 0.035 | 0.944 |
Rpim | 0.020 | 0.011 | 0.319 |
Number of reflections | 97458 | 5214 | 4828 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.8 | 99.2 | 99.9 |
Redundancy | 8.9 | 8.8 | 8.4 |
CC(1/2) | 1.000 | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20% PEG 1,000, 0.1 M Tris, 25% ethylene glycol |