5U3N

Crystal Structure of DH511.12P 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	64.658, 102.518, 193.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.167 - 2.000
R-factor	0.1835
Rwork	0.182
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u3l
RMSD bond length	0.004
RMSD bond angle	0.667
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]	35.167	50.000	2.060
High resolution limit [Å]	2.000	4.580	2.000
Rmerge	0.080	0.047	0.649
Rmeas	0.085
Rpim	0.030
Total number of observations	344034
Number of reflections	43739
<I/σ(I)>	8.7
Completeness [%]	99.9	99.5	99
Redundancy	7.9	7.6	6.4
CC(1/2)		0.998	0.797

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