1D4K

HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-08-17
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	51.820, 58.920, 61.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.850
R-factor	0.212
Rwork	0.212
R-free	0.25900
RMSD bond length	0.005
RMSD bond angle	1.160 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.051	0.277
Total number of observations	51287 *
Number of reflections	15546 *
<I/σ(I)>	12
Completeness [%]	92.7	87.9
Redundancy	3.56	8.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	20 *	inhibitor:protein molar ratio is 10:1 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	inhibitor		in DMSO
3	1	reservoir	acetate	0.1 (M)
4	1	reservoir	ammonium sulfate	35-60 (%sat)