8CFH
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment C08
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 | 175.240, 104.120, 107.170 |
Unit cell angles | 90.00, 100.44, 90.00 |
Refinement procedure
Resolution | 35.130 - 1.600 |
R-factor | 0.156 |
Rwork | 0.156 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3p |
RMSD bond length | 0.008 |
RMSD bond angle | 0.873 |
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] | 47.350 | 47.350 | 1.700 |
High resolution limit [Å] | 1.600 | 4.770 | 1.600 |
Rmerge | 0.104 | 0.032 | 1.357 |
Rmeas | 0.118 | 0.036 | 1.549 |
Number of reflections | 248198 | 9466 | 39346 |
<I/σ(I)> | 9.42 | ||
Completeness [%] | 99.5 | ||
Redundancy | 4.52 | ||
CC(1/2) | 0.998 | 0.999 | 0.404 |
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 |