6PE7

Crystal Structure of ABBV-323 FAB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	63.654, 130.375, 132.636
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.356 - 1.740
R-factor	0.1977
Rwork	0.196
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3QOS
RMSD bond length	0.005
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.200	1.750
High resolution limit [Å]	1.740	1.740
Number of reflections	56956	545
<I/σ(I)>	25.5
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	1.000	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296.15	25% (w/v) PMME 550, 0.1M MES pH 6.5, 0.01M zinc sulfate