3MNW

Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment with a gp41 MPER-derived peptide in a helical conformation

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	2009-11-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	43.753, 160.989, 141.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.600 - 2.200
R-factor	0.1869
Rwork	0.181
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mnv
RMSD bond length	0.009
RMSD bond angle	1.117
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_271))

Data quality characteristics

	Overall
Low resolution limit [Å]	47.000
High resolution limit [Å]	2.200
Rmerge	0.082
Number of reflections	24443
<I/σ(I)>	10.1
Completeness [%]	94.5
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.2	298	Reservoir: Qiagen Classics II screen H10 (0.2 M K Na tartrate, 20% PEG 3350). Drop: 0.6 uL protein + 0.4 uL reservoir., pH 7.2, VAPOR DIFFUSION, temperature 298K