1HPO

HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1994-02-28
Detector	SIEMENS
Spacegroup name	P 21 21 2
Unit cell lengths	60.543, 88.416, 46.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.179 *
Rwork	0.179
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016 *
RMSD bond angle	2.618 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	MERLOT
Refinement software	CEDAR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.132	0.534
Total number of observations	63195 *
Number of reflections	9119
<I/σ(I)>	8.2	2.2
Completeness [%]	98.8	92.5
Redundancy	7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4		CRYSTALS WERE GROWN AT ROOM TEMPERATURE IN 10 UL HANGING DROPS OF EQUAL VOLUMES OF PROTEIN/INHIBITOR COMPLEX AND THE PRECIPITANT OF 0.75, 1.0 1.5 2.0 M NACL AT PH'S 4.8, 5.0 AND 5.2 (0.1 M ACETATE BUFFER) AND AT PH'S 5.4, 5.6 AND 5.8 (0.1 M CITRATE BUFFER)., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	inhibitor	0.1 (mg/ml)
2	1	drop	protease	6 (mg/ml)
3	1	reservoir	acetate	0.1 (M)	precipitant
4	1	reservoir	citrate	0.1 (M)	precipitant
5	1	reservoir	sodium chloride		precipitant
6	1	drop	precipitant