7BHE

DARPin_D5/Her3 domain 4 complex, monoclinic crystals

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	2017-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	64.872, 62.254, 74.545
Unit cell angles	90.00, 102.41, 90.00

Refinement procedure

Resolution	44.400 - 2.297
R-factor	0.1873
Rwork	0.184
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y0b
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4 (11-DEC-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.405	2.336
High resolution limit [Å]	2.296	2.296
Rmerge	0.131	0.515
Rmeas	0.147	0.576
Rpim	0.063	0.249
Number of reflections	24338	1250
<I/σ(I)>	5.4	2.1
Completeness [%]	93.2	97.4
Redundancy	4.52	4.44
CC(1/2)	0.993	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.83	293	0.1 M Na citrate, 12% PEG4000, 0.2 M Li sulfate