1GC1

HIV-1 GP120 CORE COMPLEXED WITH CD4 AND A NEUTRALIZING HUMAN ANTIBODY

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	FUJI
Spacegroup name	P 2 2 21
Unit cell lengths	71.640, 88.130, 196.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.500
R-factor	0.2103
Rwork	0.210
R-free	0.30260 *
Structure solution method	MOLECULAR REPLACEMENT + MULTIPLE ISOMORPHOUS REPLACEMENT + DENSITY MODIFICATION
Starting model (for MR)	PDB ENTRIES 1HIL 1CDH AND 3CD4
RMSD bond length	0.007
RMSD bond angle	1.590
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.093 *
Total number of observations	113966 *
Number of reflections	37724
<I/σ(I)>	9.17	2.17
Completeness [%]	86.0	62.8
Redundancy	3	1.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.4 *	37 *	Kwong, P.D., (1999) J. Biol. Chem., 274, 4115. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
10	1	reservoir	isopropanol	10 (%)
11	1	reservoir	mPEG5000	10.5 (%)
2	1	drop	sodium citrate	0.1 (M)
3	1	drop	Na HEPES	0.02 (M)
4	1	drop	isopropanol	10 (%)
5	1	drop	mPEG5000	10.5 (%)
6	1	drop	SeaPrep agarose	0.0075 (%)
7	1	reservoir		0.35 (M)
8	1	reservoir	sodium citrate	0.1 (M)
9	1	reservoir	HEPES	0.02 (M)