7W71

Crystal structure of the PDZ-C domain of E. coli RseP in complex with 12C7 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	58.099, 77.271, 283.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.500 - 3.200
R-factor	0.2456
Rwork	0.243
R-free	0.28860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zpm 3wkm
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	3.420
High resolution limit [Å]	3.200	3.200
Rpim	0.105	0.447
Number of reflections	21990	3909
<I/σ(I)>	7.5	1.1
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.992	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	25% (wt./vol.) Polyethylene glycol 10000, 0.2 M ammonium sulfate, 0.1 M Bis-Tris-HCl (pH 5.5)