5TPP

Crystal Structure of DH270.5 (unliganded) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	135.114, 68.798, 59.463
Unit cell angles	90.00, 113.21, 90.00

Refinement procedure

Resolution	44.956 - 1.850
R-factor	0.1807
Rwork	0.179
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tyg
RMSD bond length	0.007
RMSD bond angle	1.236
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.956	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.128	0.087	0.560
Rmeas	0.153
Rpim	0.082
Total number of observations	126544
Number of reflections	42441
<I/σ(I)>	5
Completeness [%]	97.1	94.1	90.3
Redundancy	3	3.3	2.1
CC(1/2)		0.984	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	100 mM sodium citrate, pH 4.0 and 40% PEG 400