4M5Y

Crystal structure of broadly neutralizing Fab 5J8

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]	77
Detector technology	CCD
Collection date	2012-11-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	90.573, 99.983, 144.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.151 - 1.550
R-factor	0.173
Rwork	0.172
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3MLY CHAINS H AND L
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.550	1.550
Rmerge	0.046	0.910
Number of reflections	183997
<I/σ(I)>	21.9	1.8
Completeness [%]	96.9	72.5
Redundancy	7.3	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2 M calcium acetate, 11% PEG3350, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K