6S8V

Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	202.809, 46.052, 137.092
Unit cell angles	90.00, 106.64, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.1853
Rwork	0.184
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dh2 4gh7
RMSD bond length	0.019
RMSD bond angle	1.755
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.900
High resolution limit [Å]	1.800	10.000	1.800
Rmerge	0.045	0.023	0.865
Rmeas	0.049	0.025	0.934
Total number of observations	768006
Number of reflections	113253	709	16844
<I/σ(I)>	23.86	64.34	2.32
Completeness [%]	99.8	93.3	99.9
Redundancy	6.781	6.054	7.038
CC(1/2)	1.000	1.000	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.75	293	18 % (w/v) PEG3350, 100 mM sodium malonate