5UD9

Crystal structure of 354BG18 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	46.124, 71.035, 69.543
Unit cell angles	90.00, 98.48, 90.00

Refinement procedure

Resolution	35.671 - 1.300
R-factor	0.1799
Rwork	0.180
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fq2
RMSD bond length	0.009
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.671	38.390	1.170
High resolution limit [Å]	1.150	6.290	1.150
Rmerge	0.101	0.026	5.461
Number of reflections	151082
<I/σ(I)>	8.5
Completeness [%]	96.0	99.7	65.4
Redundancy	5.8	6.5	4.1
CC(1/2)	0.999	0.999	0.005

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.1M sodium acetate pH4.5, 26.8% (v/v) PEG 400, 13.4% (w/v) PEG 800