7W6Y

Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9700
Spacegroup name	P 1
Unit cell lengths	44.560, 49.780, 76.080
Unit cell angles	86.90, 79.18, 82.19

Refinement procedure

Resolution	40.910 - 3.100
R-factor	0.2583
Rwork	0.256
R-free	0.29870
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	3.210
High resolution limit [Å]	3.100	3.100
Rpim	0.038	1.601
Number of reflections	22986	1130
<I/σ(I)>	20	1.4
Completeness [%]	99.8
Redundancy	135.8
CC(1/2)	0.999	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	28-30% (vol./vol.) Polyethylene glycol 500 monomethyl ether, 100 mM NaCl, 100 mM CaCl2, and 100 mM HEPES-Na (pH7.0)