3QIK

Crystal structure of the first PDZ domain of PREX1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-01-11
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	78.135, 78.135, 54.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.285
R-factor	0.244
Rwork	0.242
R-free	0.26910
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.190
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.350
High resolution limit [Å]	2.270	4.880	2.270
Rmerge	0.075	0.040	0.674
Number of reflections	8971
<I/σ(I)>	15.1
Completeness [%]	100.0	100	100
Redundancy	10.4	9.9	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	1.2M lithium sulfate, 0.5M ammonium sulfate, 0.1M sodium citrate, pH 6.2, vapor diffusion, sitting drop, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	1.2M lithium sulfate, 0.5M ammonium sulfate, 0.1M sodium citrate, pH 6.2, vapor diffusion, sitting drop, temperature 293K