7TYE

The crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase mutant (G108S) from E. Coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	C 1 2 1
Unit cell lengths	164.990, 108.514, 47.438
Unit cell angles	90.00, 98.74, 90.00

Refinement procedure

Resolution	45.200 - 1.940
R-factor	0.197
Rwork	0.196
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g57
RMSD bond length	0.004
RMSD bond angle	0.626
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.044	0.949
Rmeas	0.052	1.121
Rpim	0.026	0.694
Number of reflections	59935	3026
<I/σ(I)>	34.87	1.1
Completeness [%]	98.4	98.3
Redundancy	3.8	3.2
CC(1/2)	0.993	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	286	0.2 M Ammonium Formate, 20 % (w/v) PEG 3350