6W4W

Crystal Structure of the Fab fragment of humanized 5c8 antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	90.894, 60.305, 73.456
Unit cell angles	90.00, 96.27, 90.00

Refinement procedure

Resolution	50.160 - 1.770
R-factor	0.171
Rwork	0.169
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i9r
RMSD bond length	0.015
RMSD bond angle	1.758
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.160	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.052	0.030	0.324
Rmeas	0.057	0.032	0.356
Rpim	0.022	0.012	0.143
Number of reflections	38013	1995	1790
<I/σ(I)>	11.1
Completeness [%]	98.1	98.8	94.4
Redundancy	6.3	6.5	5.6
CC(1/2)		0.999	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		273	33% PEG 3350, 0.1 M Citric Acid/Sodium Citrate pH 4.0