6I3I

Crystal structure of reactive center loop (RCL) cleaved angiotensinogen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 41
Unit cell lengths	80.140, 80.140, 117.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.140 - 2.970
R-factor	0.21889
Rwork	0.218
R-free	0.23743
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wxw
RMSD bond length	0.003
RMSD bond angle	0.754
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.140	3.050
High resolution limit [Å]	2.970	2.970
Rmerge	0.214	1.282
Rmeas	0.254	1.505
Number of reflections	15316	1106
<I/σ(I)>	6.5	1.4
Completeness [%]	100.0	100
Redundancy	6.7	7.1
CC(1/2)	0.987	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.5M ammonium sulfate, 0.1M Tris pH8.5 12% glycerol