9V4B

Selective Production of Versatile L-Glyceraldehyde from C1 and/or C2 aldehydes

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	2022-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	93.802, 175.267, 150.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.590 - 2.100
R-factor	0.2015
Rwork	0.201
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.403
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmeas	0.129
Rpim	0.038
Number of reflections	71874	3519
<I/σ(I)>	16.46
Completeness [%]	98.7
Redundancy	10.2
CC(1/2)		0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1M sodium acetate (pH 5.0), 1.4M ammonium sulfate, 10mM beta-mercaptoethanol