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