8J7G

crystal structure of SulE mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	51.047, 139.174, 57.917
Unit cell angles	90.00, 108.25, 90.00

Refinement procedure

Resolution	19.890 - 1.630
Rwork	0.163
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gol
RMSD bond length	0.007
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (v1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	1.660
High resolution limit [Å]	1.630	1.630
Rpim	0.035	0.274
Number of reflections	92883	4472
<I/σ(I)>	12.3
Completeness [%]	97.5
Redundancy	4.9
CC(1/2)	0.998	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG