3VYE

Human renin in complex with inhibitor 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-04-07
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.502
Spacegroup name	P 21 3
Unit cell lengths	141.442, 141.442, 141.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 2.700
R-factor	0.232
Rwork	0.232
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vsw
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.700
Number of reflections	26105
Completeness [%]	99.8
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	5-12% PEG 3350, 0.6M NaCl, 0.1M citrate pH3.0-4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K