1RZX

Crystal Structure of a Par-6 PDZ-peptide Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	64.853, 64.853, 52.599
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.22
Rwork	0.220
R-free	0.26000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nf3
RMSD bond length	0.005 *
RMSD bond angle	1.060 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.036 *	0.122 *
Number of reflections	7357	693 *
Completeness [%]	99.4	96.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	16 *	26% PEG6000, 100 mM HEPES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	26 (%)
2	1	reservoir	HEPES	100 (mM)	pH7.1
3	1	drop	protein	10 (mg/ml)