3TGT

Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-16
Detector	MAR scanner 300 mm plate
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	63.556, 66.944, 88.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.571 - 1.900
R-factor	0.191
Rwork	0.189
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.198
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.084	0.053	0.615
Number of reflections	30907
<I/σ(I)>	38.5	57.9	2.1
Completeness [%]	95.2	98.1	86.5
Redundancy	6.8	6.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	14% PEG 1500, 12% PEG 400, 0.1M HEPES, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.5