8CFS
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment G11
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 | 73.330, 132.850, 98.900 |
Unit cell angles | 90.00, 101.08, 90.00 |
Refinement procedure
Resolution | 48.530 - 1.640 |
R-factor | 0.158 |
Rwork | 0.158 |
R-free | 0.18980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.013 |
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] | 48.530 | 48.530 | 1.730 |
High resolution limit [Å] | 1.640 | 4.880 | 1.640 |
Rmerge | 0.122 | 0.038 | 1.445 |
Rmeas | 0.138 | 0.043 | 1.644 |
Number of reflections | 225767 | 8614 | 35200 |
<I/σ(I)> | 8.05 | ||
Completeness [%] | 98.8 | ||
Redundancy | 4.54 | ||
CC(1/2) | 0.997 | 0.998 | 0.335 |
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 |