7DT9

D30N HIV Protease in complex with Saquinavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.934000
Spacegroup name	P 61
Unit cell lengths	62.730, 62.730, 82.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.810 - 1.890
R-factor	0.1764
Rwork	0.175
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dpq
RMSD bond length	0.006
RMSD bond angle	0.946
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.810	1.990
High resolution limit [Å]	1.890	1.890
Rmerge	0.061	0.685
Number of reflections	14267	1919
<I/σ(I)>	21.43
Completeness [%]	96.6
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	NaCl (1.5M), Sodium acetate buffer (50 mM, pH 4.5)