9OTJ

Crystal Structure of Salmonella FraB Deglycase, Crystal Form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	55.292, 108.515, 120.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.743 - 1.851
Rwork	0.196
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.960
Data reduction software	XDS (Jan 26, 2018 (BUILT 20180808))
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.743	1.975
High resolution limit [Å]	1.850	1.851
Rmerge	0.049	1.570
Rpim	0.021	0.648
Number of reflections	53947	2697
<I/σ(I)>	16.1
Completeness [%]	86.0	24.7
Redundancy	6.3	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	15% v/v 2-propanol, 0.1 M magnesium chloride, 0.1 M MES, pH 6.5