9EKD

Structure of a C1r Zymogen Fragment Bound to SALO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-26
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00
Spacegroup name	P 32 2 1
Unit cell lengths	117.831, 117.831, 190.582
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.290 - 3.280
R-factor	0.2459
Rwork	0.242
R-free	0.28650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.427
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.420
High resolution limit [Å]	3.280	7.100	3.300
Rmerge	0.226	0.162	2.218
Rmeas	0.233	0.167	2.295
Rpim	0.055	0.039	0.585
Number of reflections	23755	2548	2328
<I/σ(I)>	6.7
Completeness [%]	100.0	100	100
Redundancy	17.7	18.3	15.2
CC(1/2)	0.930	0.992	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M BIS-TRIS (pH 5.6), 0.2 M ammonium sulfate, 20% (w/v) PEG-3350