9EKE

Structure of a C1r Zymogen Fragment Bound to SALO, Y51F Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9774
Spacegroup name	P 32 2 1
Unit cell lengths	117.810, 117.810, 195.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.360 - 3.100
R-factor	0.2344
Rwork	0.231
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.462
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	3.210
High resolution limit [Å]	3.090	6.670	3.100
Rmerge	0.257	0.058	3.008
Rmeas	0.265	0.060	3.101
Rpim	0.062	0.014	0.749
Number of reflections	29376	3135	2863
<I/σ(I)>	4.2
Completeness [%]	100.0	100	100
Redundancy	18.1	18.9	16.9
CC(1/2)	0.995	0.999	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium citrate tribasic (pH 7.0), 20% (w/v) PEG-3350