4NRX

Crystal Structure of HIV-1 Neutralizing Antibody m66 in complex with gp41 MPER peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	197.262, 93.505, 89.830
Unit cell angles	90.00, 111.80, 90.00

Refinement procedure

Resolution	35.020 - 2.210
R-factor	0.189
Rwork	0.188
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nry
RMSD bond length	0.009
RMSD bond angle	1.188
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.166	0.504
Number of reflections	76772
<I/σ(I)>	9
Completeness [%]	97.4	92
Redundancy	3.5	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	25% isopropanol, 15-20% polyethylene glycol 3350, 0.2 M ammonium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K