9VIJ

Crystal structure of fused glycerol dehydratase A177M/M158W variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	I 41 2 2
Unit cell lengths	157.020, 157.020, 383.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 3.580
R-factor	0.2712
Rwork	0.270
R-free	0.29530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.101
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]	29.590	3.708
High resolution limit [Å]	3.580	3.580
Rmerge	0.414
Number of reflections	28385	28385
<I/σ(I)>	7.05
Completeness [%]	98.6
Redundancy	24.9
CC(1/2)	0.991	0.749

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