2R5D

Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-04-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	35.438, 56.345, 53.424
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	38.630 - 1.660
R-factor	0.204
Rwork	0.201
R-free	0.24900
RMSD bond length	0.013
RMSD bond angle	1.160
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.720
High resolution limit [Å]	1.660	3.580	1.660
Rmerge	0.046	0.031	0.315
Number of reflections	23406
<I/σ(I)>	21.6
Completeness [%]	94.3	97.5	62.1
Redundancy	2.3	2.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.1M HEPES, 24% PEG 10000, pH 7.5, vapor diffusion, temperature 298K