3TGS

Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556

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	2009-08-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	66.960, 126.000, 191.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.837 - 2.700
R-factor	0.2422
Rwork	0.239
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.699
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	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.116	0.066	0.222
Number of reflections	17560
<I/σ(I)>	26.2
Completeness [%]	74.0	98.9	26.3
Redundancy	5.2	5.5	3.6

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