6RMU

Crystal structure of disulphide-linked human C3d dimer in complex with Staphylococcus aureus complement subversion protein Sbi-IV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	73.518, 115.169, 118.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.733 - 2.400
R-factor	0.1589
Rwork	0.156
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wy7
RMSD bond length	0.012
RMSD bond angle	1.102
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.930	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.132	0.587
Rpim	0.060	0.266
Number of reflections	40413	4153
<I/σ(I)>	8.5	2.8
Completeness [%]	99.9	99.1
Redundancy	5.7	5.8
CC(1/2)	0.994	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.07	291	0.2 M sodium citrate tribasic dihydrate, 20% PEG 3350.