6BJN

PICK1 PDZ domain in complex with the class I PDZ binding motif QSAV

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	2013-08-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 32
Unit cell lengths	54.473, 54.473, 78.119
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.180 - 2.430
R-factor	0.1958
Rwork	0.194
R-free	0.22000
RMSD bond length	0.017
RMSD bond angle	1.929
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.430
Number of reflections	9544
<I/σ(I)>	7.1
Completeness [%]	99.6
Redundancy	4.8
CC(1/2)	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M BisTRIS pH 5.5 and 25% PEG3350