9RXQ

Structure of the PDZ1 domain from human NHERF1 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	2022-09-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	47.923, 51.469, 63.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.200 - 1.380
R-factor	0.1616
Rwork	0.160
R-free	0.18260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.410
High resolution limit [Å]	1.380	1.380
Rmerge	0.091	0.461
Rpim	0.010	0.085
Number of reflections	32381	1484
<I/σ(I)>	50.1	9.1
Completeness [%]	99.3	92.1
Redundancy	86.8	56.3
CC(1/2)	0.999	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	293	100 mM sodium acetate pH 4.8 200 mM ammonium acetate 24% PEG 4000