3LF6

Crystal structure of HIV epitope-scaffold 4E10_1XIZA_S0_001_N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	107
Detector technology	IMAGE PLATE
Collection date	2008-01-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	49.211, 81.975, 94.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.500 - 1.900
R-factor	0.22615
Rwork	0.223
R-free	0.27917
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computationally-derived model of the epitope-scaffold based on 1XIZ
RMSD bond length	0.009
RMSD bond angle	1.056
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.210	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.057	0.341
Number of reflections	30053
<I/σ(I)>	17.2	2.6
Completeness [%]	97.5	95.2
Redundancy	4.43	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	DI-AMMONIUM PHOSPHATE, TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K