7W6X

Crystal structure of E. coli RseP in complex with batimastat

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	2018-12-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	47.340, 56.120, 69.670
Unit cell angles	68.17, 74.59, 69.35

Refinement procedure

Resolution	43.760 - 3.200
R-factor	0.2486
Rwork	0.246
R-free	0.30530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.770	3.310
High resolution limit [Å]	3.200	3.200
Rpim	0.098	1.347
Number of reflections	10129	1028
<I/σ(I)>	7.5	1.1
Completeness [%]	99.7
Redundancy	8.4
CC(1/2)	0.995	0.417

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	30% (vol./vol.) polyethylene glycol 500 dimethyl ether, 100 mM NaCl, 100 mM MgCl2, 100 mM HEPES-Na (pH 7.0)