6F5E

Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide

Replaces:  5LEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	76.995, 76.995, 330.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.959 - 2.700
R-factor	0.2018
Rwork	0.201
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.463
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.959	2.770
High resolution limit [Å]	2.700	2.700
Rmeas	0.140	7.681
Number of reflections	30294	2261
<I/σ(I)>	22.99	1.1
Completeness [%]	99.9	100
Redundancy	41.1
CC(1/2)	1.000	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	277	PEG 10000 3% w/v Hepes 0.1 M, pH 6.8 Additives (0.033% w/v) 1,5-Naphthalene- disulfonic acid disodium salt 2,5-Pyridinedicarboxylic acid 3,5-Dinitrosalicylic acid