2BKS

crystal structure of Renin-PF00074777 complex

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	2003-07-09
Detector	ADSC CCD
Spacegroup name	P 21 3
Unit cell lengths	141.916, 141.916, 141.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.200
R-factor	0.2432
Rwork	0.243
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.390
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.220
Number of reflections	47471
<I/σ(I)>	39	6
Completeness [%]	98.0	90
Redundancy	13	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6.00