1QR8

INHIBITION OF HIV-1 INFECTIVITY BY THE GP41 CORE: ROLE OF A CONSERVED HYDROPHOBIC CAVITY IN MEMBRANE FUSION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1998-06-10
Detector	RIGAKU RAXIS IV
Spacegroup name	H 3
Unit cell lengths	53.587, 53.587, 59.558
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.212 *
Rwork	0.212
R-free	0.26200
RMSD bond length	0.004
RMSD bond angle	0.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.060 *	0.205
Total number of observations	7391 *
Number of reflections	3505
<I/σ(I)>	25.7
Completeness [%]	94.0	96.6
Redundancy	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	sodium acetate, ammonium sulfate, PEG 4000, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide	10 (mg/ml)
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	reservoir	PEG4000	17 (%)
5	1	reservoir	glycerol	20 (%(v/v))