8CFP
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment F09
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 | P 1 21 1 |
Unit cell lengths | 73.830, 132.890, 98.710 |
Unit cell angles | 90.00, 101.06, 90.00 |
Refinement procedure
Resolution | 48.440 - 1.610 |
R-factor | 0.1579 |
Rwork | 0.158 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.994 |
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] | 48.440 | 48.440 | 1.710 |
High resolution limit [Å] | 1.610 | 4.810 | 1.610 |
Rmerge | 0.099 | 0.028 | 1.469 |
Rmeas | 0.112 | 0.031 | 1.668 |
Number of reflections | 235432 | 9049 | 37151 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 97.6 | ||
Redundancy | 4.64 | ||
CC(1/2) | 0.998 | 0.999 | 0.411 |
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 |