5X08

Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979133
Spacegroup name	C 1 2 1
Unit cell lengths	157.509, 44.500, 85.130
Unit cell angles	90.00, 113.70, 90.00

Refinement procedure

Resolution	22.250 - 1.490
R-factor	0.12977
Rwork	0.129
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wy7
RMSD bond length	0.016
RMSD bond angle	1.617
Data reduction software	MOSFLM (7.1.0)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.250	1.570
High resolution limit [Å]	1.490	1.490
Rmerge	0.081	0.770
Rpim	0.035	0.344
Number of reflections	88101	12788
<I/σ(I)>	11.9	2.4
Completeness [%]	99.5	99.5
Redundancy	6	5.8
CC(1/2)	0.998	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291.15	100mM sodium acetate; 34% PEG4000; 225mM ammonium acetate