3CYO

Structure of a longer thermalstable core domain of HIV-1 GP41 containing the enfuvirtide resistance mutation N43D and complementary mutation E137K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-01
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 3
Unit cell lengths	59.290, 59.290, 59.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.242
Rwork	0.242
R-free	0.33200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1env
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge		0.879
Number of reflections	4263
<I/σ(I)>	9.3
Completeness [%]	98.7	88.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	25-40% ETHYLENE GLYCOL, 0.2 M MGCL2 AND 0.1 M HEPES PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K, pH 7.50