9VIG

Crystal structure of fused glycerol dehydratase L113W variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	153.580, 153.580, 376.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.840 - 3.020
R-factor	0.329
Rwork	0.327
R-free	0.36720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.098
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.840	3.128
High resolution limit [Å]	3.020	3.020
Rmerge	0.521	1.297
Number of reflections	38838	4283
<I/σ(I)>	9.82
Completeness [%]	87.0
Redundancy	24.8
CC(1/2)	0.991	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	100mM HEPES (pH7.5), 20% (w/v) PEG 8000, 200mM Ammonium sulfate, 10% (v/v) 2-propanol