6L8T

Crystal structure of the Fab fragment of a humanized HBV therapeutic antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2015-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	77.942, 75.943, 137.550
Unit cell angles	90.00, 103.24, 90.00

Refinement procedure

Resolution	26.537 - 1.766
R-factor	0.1663
Rwork	0.165
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mau
RMSD bond length	0.005
RMSD bond angle	1.008
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	1.790
High resolution limit [Å]	1.760	4.780	1.760
Rmerge	0.057	0.033	0.653
Rmeas	0.067	0.039	0.766
Rpim	0.034	0.020	0.397
Total number of observations	568776
Number of reflections	152195	7570	7519
<I/σ(I)>	11.4
Completeness [%]	99.6	96.1	99.9
Redundancy	3.7	3.7	3.7
CC(1/2)		0.997	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M ammonium acetate, 20% (w/v) PEG 3350