3Q6G

Crystal structure of Fab of rhesus mAb 2.5B specific for quaternary neutralizing epitope of HIV-1 gp120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-11-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	77.836, 72.817, 88.898
Unit cell angles	90.00, 115.64, 90.00

Refinement procedure

Resolution	29.702 - 1.902
R-factor	0.193
Rwork	0.191
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.123
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	68825
<I/σ(I)>	17.8
Completeness [%]	98.2	92.8
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	296	18% PEG 3350, 100 mM ammonium nitrate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 296K
1	VAPOR DIFFUSION, HANGING DROP	6.3	296	18% PEG 3350, 100 mM ammonium nitrate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 296K