3TGR

Crystal structure of unliganded HIV-1 clade C strain C1086 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	CCD
Collection date	2009-06-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	67.860, 127.510, 193.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.289 - 2.800
R-factor	0.2259
Rwork	0.223
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.607
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.079	0.048	0.294
Number of reflections	20001
<I/σ(I)>	16.1
Completeness [%]	93.8	85.8	82.4
Redundancy	4.2	4.2	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	16 % PEG 1500, 0.1M CaCl2, 0.1M imidazole, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.5