9RXN

Structure of the PDZ1 domain from human PDZK1 (NHERF3) with the C-terminal residues (KSTQF) of human URAT1 transporter (SLC22A12)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	49.143, 49.936, 103.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.970 - 1.360
R-factor	0.1348
Rwork	0.134
R-free	0.16130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.905
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.380
High resolution limit [Å]	1.360	1.360
Rmerge	0.101	0.560
Rpim	0.016	0.109
Number of reflections	55238	2536
<I/σ(I)>	29.2	5.8
Completeness [%]	99.5	92.8
Redundancy	39.9	24.5
CC(1/2)	0.999	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	293	50 mM Bicine pH 8.4, 12% PEG 600, 3.5% PEG 2000 MME