8CFW
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment H05
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, 132.770, 98.480 |
Unit cell angles | 90.00, 100.94, 90.00 |
Refinement procedure
Resolution | 36.280 - 1.610 |
R-factor | 0.1582 |
Rwork | 0.158 |
R-free | 0.18210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.857 |
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] | 46.120 | 46.120 | 1.710 |
High resolution limit [Å] | 1.610 | 4.800 | 1.610 |
Rmerge | 0.087 | 0.028 | 1.322 |
Rmeas | 0.098 | 0.031 | 1.500 |
Number of reflections | 234190 | 9038 | 36900 |
<I/σ(I)> | 10.87 | ||
Completeness [%] | 97.3 | ||
Redundancy | 4.66 | ||
CC(1/2) | 0.998 | 0.999 | 0.472 |
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 |