3O3X

Crystal structure of gp41-5, a single-chain 5-helix-bundle based on HIV gp41

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	54.459, 57.936, 61.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.450
R-factor	0.15195
Rwork	0.150
R-free	0.18121
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5-helix-bundle derived from PDB entry 1AIK
RMSD bond length	0.013
RMSD bond angle	1.446
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.450
Number of reflections	34965
<I/σ(I)>	21.3
Completeness [%]	99.7
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES pH 7.5, 20% v/v iPrOH, 20% w/v PEG 4000 , VAPOR DIFFUSION, HANGING DROP, temperature 298K