9OU6

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	2023-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979310
Spacegroup name	P 21 21 21
Unit cell lengths	57.708, 109.334, 114.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.084 - 1.483
Rwork	0.169
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.820
Data reduction software	XDS (Feb 5, 2021 (BUILT 20210205))
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.084	1.601
High resolution limit [Å]	1.483	1.483
Rmerge	0.068	0.816
Rpim	0.029	0.368
Number of reflections	93089	4654
<I/σ(I)>	11.2
Completeness [%]	77.3
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	10-14% v/v PEG300, 0.1bM MES, pH 6.0-6.5