8QNB
Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-16 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.527, 69.964, 71.239 |
Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
Resolution | 49.250 - 2.100 |
R-factor | 0.20225 |
Rwork | 0.200 |
R-free | 0.25433 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.490 |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.250 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.096 | 1.891 |
Rmeas | 0.101 | 1.992 |
Rpim | 0.031 | 0.620 |
Total number of observations | 26455 | |
Number of reflections | 31671 | 2611 |
<I/σ(I)> | 13.9 | 1.1 |
Completeness [%] | 98.4 | |
Redundancy | 10.6 | 10.1 |
CC(1/2) | 0.999 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% PEG3350, 0.2 M Lithium Nitrate |