5U3M

Crystal Structure of DH511.11P Fab in Complex with HIV-1 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	CCD
Collection date	2016-02-27
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	65.760, 102.110, 197.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.509 - 2.418
R-factor	0.2306
Rwork	0.227
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u3l
RMSD bond length	0.002
RMSD bond angle	0.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.509	50.000	2.480
High resolution limit [Å]	2.410	5.520	2.410
Rmerge	0.200	0.119	0.325
Number of reflections	24106
<I/σ(I)>	7.1
Completeness [%]	93.6	99.6	69.4
Redundancy	8.5	10.7	4.1
CC(1/2)		0.993	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	4% Isopropanol, 3% PEG 3350, 0.75 M NH4SO4, 0.1 M C2H3NaO2 pH 4.5