6NOV

A Fab derived from ixekizumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-29
Detector	RAYONIX MX225-HS
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	118.404, 197.497, 44.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.140
R-factor	0.24
Rwork	0.238
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.688	41.688	2.140
High resolution limit [Å]	2.050	7.100	2.050
Rmerge		0.040	0.793
Rmeas	0.146	0.046	0.921
Rpim	0.055	0.019	0.340
Total number of observations	467195	10359	58367
Number of reflections	66339	1700	8034
<I/σ(I)>	8.1	18.1	2.1
Completeness [%]	99.4	94.5	99.9
Redundancy	7	6.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	28% PEG 5000 MME/100 mM MES (pH 6.5)/200 mM ammonium phosphate