8OFG
Streptococcus pneumoniae CdaA in complex with c-di-amp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.570, 86.570, 110.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.280 - 2.400 |
R-factor | 0.2254 |
Rwork | 0.224 |
R-free | 0.25210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.065 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.730 | 2.460 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.264 | 0.215 | 1.596 |
Rmeas | 0.271 | 0.221 | 1.634 |
Number of reflections | 17076 | 398 | 1219 |
<I/σ(I)> | 8.07 | ||
Completeness [%] | 99.9 | ||
Redundancy | 2 | ||
CC(1/2) | 0.990 | 0.990 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris/HCl pH 8.5 4.5 M NaCl |