3TGQ

Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-11-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	222.970, 222.970, 86.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.270 - 3.400
R-factor	0.2805
Rwork	0.280
R-free	0.31300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rzk
RMSD bond length	0.003
RMSD bond angle	0.916
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.270	50.000	2.850
High resolution limit [Å]	2.770	5.920	2.750
Rmerge	0.130	0.080	0.456
Number of reflections	39993
<I/σ(I)>	14.6	47.5	1.2
Completeness [%]	63.3	99.9	12
Redundancy	4.8	7	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	16% PEG 3350, 0.1M CaCl2, 0.1M Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.5