8IVM

crystal structure of SulE mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	51.160, 139.670, 58.160
Unit cell angles	90.00, 101.56, 90.00

Refinement procedure

Resolution	36.050 - 1.320
Rwork	0.160
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gol
RMSD bond length	0.009
RMSD bond angle	0.997
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]	47.180	1.350
High resolution limit [Å]	1.320	1.320
Rpim	0.025	0.363
Number of reflections	182251	11288
<I/σ(I)>	15.3
Completeness [%]	97.6
Redundancy	4.7
CC(1/2)	0.999	0.757

Crystallization Conditions

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