1RHH

Crystal Structure of the Broadly HIV-1 Neutralizing Fab X5 at 1.90 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.009
Spacegroup name	P 4 21 2
Unit cell lengths	139.600, 139.600, 120.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.900
R-factor	0.224
Rwork	0.224
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fct
RMSD bond length	0.010 *
RMSD bond angle	1.460 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.066	0.498 *
Number of reflections	93615
<I/σ(I)>	39.7	3.2
Completeness [%]	100.0 *	99.9
Redundancy	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	17-19 *	PEG400, HEPES, 1,2-propanediol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)	pH7.4
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	1,2-propanediol	30 (%)
4	1	reservoir	PEG400	20 (%)
5	1	reservoir	HEPES	0.1 (M)	pH7.5