8GMN

Crystal structure of human C1s in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 1
Unit cell lengths	50.471, 77.647, 108.484
Unit cell angles	86.13, 79.09, 71.08

Refinement procedure

Resolution	35.000 - 2.600
R-factor	0.22714
Rwork	0.224
R-free	0.28141
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.457
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.990	2.590
High resolution limit [Å]	2.510	2.510
Rmerge	0.106	0.928
Rmeas	0.150	1.313
Rpim	0.106	0.928
Total number of observations	91592	4921
Number of reflections	47284	2687
<I/σ(I)>	5.9	0.8
Completeness [%]	90.5
Redundancy	1.9	1.8
CC(1/2)	0.989	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	22% PEG 3350, 50-100 mM Ammonium Sulphate and 100 mM TRIS pH 7.5-8.0