3Q70

Secreted aspartic protease in complex with ritonavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	49.280, 65.460, 98.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.400
Rwork	0.175
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eag
RMSD bond length	0.011
RMSD bond angle	0.028
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.400
Number of reflections	62389
<I/σ(I)>	22.6
Completeness [%]	100.0
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	9 mM ZnAC, 16% PEG 8000, 0.1M imidazole/malate buffer pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K