2NY6

HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T123C, T257S, V275C,S334A, S375W, Q428C, G431C) Complexed with CD4 and Antibody 17b

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	2005-04-18
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 2 2 21
Unit cell lengths	72.310, 87.018, 196.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.370 - 2.800
R-factor	0.1959
Rwork	0.192
R-free	0.27577
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gc1
RMSD bond length	0.008
RMSD bond angle	1.032
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.2.0005)

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	0.151	0.070	0.581
Number of reflections	28525
<I/σ(I)>	4.8
Completeness [%]	92.5	96.7	65
Redundancy	3.4	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	8.3% PEG 8000, 7.4% MPD, 100 mM Na Citrate , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K