1G9N

HIV-1 YU2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9721
Spacegroup name	C 1 2 1
Unit cell lengths	174.980, 81.710, 74.480
Unit cell angles	90.00, 90.37, 90.00

Refinement procedure

Resolution	20.000 - 2.900
Rwork	0.207
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g9m
RMSD bond length	0.008
RMSD bond angle	25.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.093	0.439
Number of reflections	23464
<I/σ(I)>	10.38	2.33
Completeness [%]	98.5	97.1
Redundancy	4.37	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	VAPOUR DIFFUSION CRYSTALLIZATION: 0.5 UL OF PROTEIN (5 MG/ML IN 0.35 M NACL, 0.005 M TRIS CL PH 7.0) + 0.35 UL OF RESERVOIR (50 UL OF NA ACETATE pH 4.5 + 250 UL OF HAMPTON CRYSTAL SCREEN REAGENT 18 + 126 UL OF ETHANOL + 292 UL OF WATER), pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop		350 (mM)
3	1	drop	Tris-HCl	5 (mM)
4	1	reservoir	sodium acetate	0.5 (M)	50 micro litter
5	1	reservoir	ethanol	95 (%)	126 micro litter
6	1	reservoir		5 (M)	45 micro litter