1NPV

Crystal structure of HIV-1 protease complexed with LDC271

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 2
Unit cell lengths	57.980, 87.530, 46.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
Rwork	0.210
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.800
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge		0.337
Number of reflections	12616
<I/σ(I)>	11.7	1.6
Completeness [%]	75.8	36.6
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.2	298	600mM NaCl, 100mM Sodium Acetate buffer at pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K