3TLH

STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-02
Detector	MAR scanner 345 mm plate
Spacegroup name	P 61 2 2
Unit cell lengths	63.202, 63.202, 83.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.195 *
R-free	0.28100 *
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	0.023 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.106	0.419 *
Number of reflections	8126
<I/σ(I)>	10.5	2.6
Completeness [%]	98.4	96.2
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.2 *		SAMPLE: 3.0MG/ML HIVPR IN 25MM NAACETATE WITH 1MM EDTA AND 10MM DTT AT PH 5.5. WELL SOLUTION: 1.3M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 5.3 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	15 (%sat)
2	1	reservoir	sodium citrate	85 (mM)	or 170 mM sodium phosphate
3	1	reservoir	MPD	6 (%)
4	1	reservoir	sodium azide	0.02 (%)