1RZI

Crystal structure of human anti-HIV-1 gp120-reactive antibody 47e fab

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	2003-03-12
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	73.430, 111.645, 133.309
Unit cell angles	85.48, 90.00, 89.71

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.2331
Rwork	0.233
R-free	0.31900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.569 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.176 *
Total number of observations	390048 *
Number of reflections	84392
Completeness [%]	81.9 *	31.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	293	1.2M ammonium citrate, 0.1M Tris-HCl, 4% PEG1000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	2.5 (mM)
2	1	drop		0.35 (M)
3	1	drop		0.02 (%(v/v))	pH7.0
4	1	drop	protein	4-8 (mg/ml)
5	1	reservoir	ammonium citrate	1.2 (M)
6	1	reservoir	Tris-HCl	0.1 (M)
7	1	reservoir	PEG1000	4 (%)	pH9.0