5LW1

Crystal structure of DARPin-DARPin rigid fusion, variant DD_232_11_D12 in complex JNK1a1 and JIP1 peptide

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)	1.000000
Spacegroup name	C 1 2 1
Unit cell lengths	219.990, 141.760, 119.850
Unit cell angles	90.00, 97.83, 90.00

Refinement procedure

Resolution	49.383 - 3.200
R-factor	0.1771
Rwork	0.175
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1SVX chain A and 1UKH
RMSD bond length	0.002
RMSD bond angle	0.494
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]	49.383	3.314
High resolution limit [Å]	3.200	3.200
Rmerge	0.135	1.842
Rpim	0.054	0.735
Number of reflections	58948	5875
<I/σ(I)>	11.27	1.13
Completeness [%]	97.9	98.46
Redundancy	7	7.2
CC(1/2)	0.998	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	Lithium Sulfate 1.8 M Tris 0.1 M Additives (0.002% w/v) Adenosine, Pepstatin A Epinephrine Sodium phenyl phosphate dibasic dehydrate Inosine 5-triphosphate trisodium salt pH 8.5