5U0U

Crystal Structure of DH270.1 (unliganded, single-chain Fv) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97925
Spacegroup name	C 1 2 1
Unit cell lengths	156.873, 111.284, 89.134
Unit cell angles	90.00, 120.46, 90.00

Refinement procedure

Resolution	49.851 - 3.428
R-factor	0.255
Rwork	0.254
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tqa
RMSD bond length	0.004
RMSD bond angle	0.892
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]	49.851	50.000	3.480
High resolution limit [Å]	3.420	9.260	3.420
Rmerge	0.184	0.089	0.652
Rmeas	0.233
Rpim	0.140
Total number of observations	32526
Number of reflections	14420
<I/σ(I)>	3.8
Completeness [%]	81.5	75.5	85.5
Redundancy	2.3	2.4	2.2
CC(1/2)		0.971	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	2.5 M sodium chloride, 100 mM sodium acetate, pH 4.5 and 200 mM LiSO4