3U4E

Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain CAP45

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	73.026, 103.545, 186.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.693 - 2.185
R-factor	0.1845
Rwork	0.182
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u2s
RMSD bond length	0.009
RMSD bond angle	1.094
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.190	5.400	2.190
Rmerge		0.054	0.339
Number of reflections	67917
<I/σ(I)>		18.7	2.4
Completeness [%]	92.0	99	68.7
Redundancy	4.1	4.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	13% (w/v) PEG 3350, 11% (v/v) 2-methyl-2,4-pentanediol, 0.2 M lithium sulfate, 0.1 M imidazole pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K