5V8V

Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	54.367, 99.014, 147.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.334 - 2.600
R-factor	0.1897
Rwork	0.186
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ryc
RMSD bond length	0.005
RMSD bond angle	0.764
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Rmerge	0.012
Number of reflections	25373
<I/σ(I)>	6.7
Completeness [%]	99.6
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	19-22% PEG3350, 200mM ammonium sulfate, 100mM TRIS-HCl, pH 7.5, 2mM inhibitor, 1% DMSO