4YDJ

Crystal structure of broadly and potently neutralizing antibody 44-VRC13.01 in complex with HIV-1 clade AE strain 93TH057 gp120

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	2012-03-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	293.796, 67.053, 93.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 2.308
R-factor	0.2246
Rwork	0.223
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se9
RMSD bond length	0.003
RMSD bond angle	0.731
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1702)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.141	0.092	0.833
Total number of observations	410786
Number of reflections	81592
<I/σ(I)>	7.3
Completeness [%]	99.3	97.3	95.2
Redundancy	5	5.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	9.5% PEG 8000, 15% isopropanol, 0.1M imidazole, pH 6.5