5W1K

JUNV GP1 CR1-10 Fab CR1-28 Fab complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-E
Synchrotron site	APS
Beamline	21-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	154.840, 132.230, 167.420
Unit cell angles	90.00, 92.47, 90.00

Refinement procedure

Resolution	49.350 - 3.990
R-factor	0.239
Rwork	0.237
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5en2
RMSD bond length	0.008
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.350	49.350	4.230
High resolution limit [Å]	3.990	11.680	3.990
Rmerge	0.721	0.134	1.586
Rmeas	0.857	0.160	1.886
Total number of observations	194531
Number of reflections	57195	2333	8957
<I/σ(I)>	2.34	7.53	1.03
Completeness [%]	99.1	97	97.6
Redundancy	3.401	3.342	3.409
CC(1/2)	0.796	0.988	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.7	297	1.9 M AmSO4 pH 7.7