6YSQ

The hC4Nb8 complement inhibitory nanobody in complex with C4b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	131.200, 89.510, 231.200
Unit cell angles	90.00, 97.55, 90.00

Refinement procedure

Resolution	48.260 - 3.300
R-factor	0.2216
Rwork	0.221
R-free	0.27180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jtw
RMSD bond length	0.005
RMSD bond angle	0.929
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	3.418
High resolution limit [Å]	3.300	3.300
Number of reflections	80517	7914
<I/σ(I)>	11.73	0.65
Completeness [%]	99.9	99.94
Redundancy	6.7	6.7
CC(1/2)	0.998	0.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292.15	The reservoir containing 100 mM HEPES-NaOH pH=7, 10% w/w PEG4000, 10% v/v 2-propanol was mixed 1:1 with the concentrated protein sample.