4RBP

Crystal structure of HIV neutralizing antibody 2G12 in complex with a bacterial oligosaccharide analog of mammalian oligomanose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	45.300, 130.880, 170.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.774 - 1.850
R-factor	0.2091
Rwork	0.208
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1OP5
RMSD bond length	0.008
RMSD bond angle	1.251
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	1.900
High resolution limit [Å]	1.850	1.850
Rmerge		0.576
Number of reflections	77021
Completeness [%]	88.0	88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	33% PEG 600, 0.2M imidazole malate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K