8QMY
Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase
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 X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.047, 98.016, 238.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.050 - 1.900 |
R-factor | 0.19655 |
Rwork | 0.195 |
R-free | 0.23241 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.469 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.050 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.092 | 1.734 |
Rmeas | 0.100 | 1.873 |
Rpim | 0.038 | 0.702 |
Total number of observations | 42710 | |
Number of reflections | 126385 | 6164 |
<I/σ(I)> | 9.9 | 1.1 |
Completeness [%] | 99.9 | |
Redundancy | 6.7 | 6.9 |
CC(1/2) | 0.998 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20 % PEG 3350, 0.2 M Lithium Nitrate |