9V4C

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	P 21 21 21
Unit cell lengths	98.818, 117.353, 204.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.410 - 2.000
R-factor	0.1741
Rwork	0.172
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.786
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	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	153674	7111
<I/σ(I)>	11.86
Completeness [%]	96.1
Redundancy	9.8
CC(1/2)	0.980	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	MES, calcium acetate, 8% (w/v) polyethylene glycol 8000, beta-mercaptoethanol