7XGP

Human renin in complex with compound3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2017-10-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 3
Unit cell lengths	141.020, 141.020, 141.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.010 - 2.650
R-factor	0.2012
Rwork	0.198
R-free	0.25420
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.651
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.010	47.010	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.100	0.029	1.861
Rmeas	0.102	0.030	1.909
Total number of observations	546018
Number of reflections	27447	343	2020
<I/σ(I)>	23.72	86.39	2.03
Completeness [%]	99.9	98	99.4
Redundancy	19.894	19.087	20.199
CC(1/2)	0.999	0.999	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Na citrate pH4.2, 30% PEG3350, 0.6M NaCl