6SUA

Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse 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	2018-03-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	105.039, 107.737, 133.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.710 - 2.750
R-factor	0.2222
Rwork	0.220
R-free	0.27090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i9q 6s8v
RMSD bond length	0.002
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.710	34.710	2.850
High resolution limit [Å]	2.750	10.000	2.750
Rmerge	0.197	0.030	1.079
Rmeas	0.205	0.031	1.128
Total number of observations	526014
Number of reflections	39856	917	3894
<I/σ(I)>	15.36	62.17	2.45
Completeness [%]	99.1	97.1	96.6
Redundancy	13.198	12.317	11.718
CC(1/2)	0.996	1.000	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12 %(w/v) PEG8000, 0.2 M Li2SO4