8CFT
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment G12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-27 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 175.030, 104.140, 107.380 |
Unit cell angles | 90.00, 100.59, 90.00 |
Refinement procedure
Resolution | 29.320 - 1.720 |
R-factor | 0.1567 |
Rwork | 0.156 |
R-free | 0.18650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 0.998 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.430 | 47.430 | 1.820 |
High resolution limit [Å] | 1.720 | 5.130 | 1.720 |
Rmerge | 0.130 | 0.029 | 1.616 |
Rmeas | 0.147 | 0.033 | 1.823 |
Number of reflections | 200469 | 7671 | 31923 |
<I/σ(I)> | 9.34 | ||
Completeness [%] | 99.5 | ||
Redundancy | 4.58 | ||
CC(1/2) | 0.997 | 0.999 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 50 mM KH2PO4, 20% (w/v) PEG8000, 20% (v/v) glycerol |