3TCL

Crystal Structure of HIV-1 Neutralizing Antibody CH04

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	2011-06-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	73.363, 74.227, 183.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.703 - 1.906
R-factor	0.1977
Rwork	0.196
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1DFB and 1QLR
RMSD bond length	0.013
RMSD bond angle	1.387
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_755))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge		0.496
Number of reflections	78982
<I/σ(I)>		3
Completeness [%]	99.9	99.7
Redundancy		5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20% PEG 8000, 3% MPD, 0.1M imidazole, , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K