8TE6

Crystal structure of a multiple lysine-to-arginine substitution mutant of the human CRIg C3b-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-01
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	31.826, 50.280, 60.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.487 - 1.251
R-factor	0.1661
Rwork	0.164
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.792
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.107	0.100	0.349
Rmeas	0.114	0.108	0.373
Rpim	0.039	0.037	0.129
Total number of observations	201970
Number of reflections	25835	2845	2440
<I/σ(I)>	20.3
Completeness [%]	94.0	96.5	90.5
Redundancy	7.8	8.5	7.8
CC(1/2)	0.986	0.985	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate (pH 6.5) 0.2 M ammonium acetate 30% (w/v) PEG-4000