8QNO
Crystal structure of S-adenosyl-L-homocysteine hydrolase treated at 368 K from Pyrococcus furiosus in complex with inosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.28022 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 111.714, 111.714, 122.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.308 - 2.033 |
Rwork | 0.155 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.425 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.310 | 2.106 |
High resolution limit [Å] | 2.033 | 2.033 |
Rmerge | 0.237 | |
Rpim | 0.047 | |
Number of reflections | 50113 | 4818 |
<I/σ(I)> | 15.36 | |
Completeness [%] | 99.7 | |
Redundancy | 26.8 | |
CC(1/2) | 0.990 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | Before crystallization, enzyme was heat treated at 95 degree celsius (or 368 Kelvin). 26% (w/v) PEG 1500 with 100 mM MMT, pH 8.0 |