5VO5

Crystal structure of Lgd-Shrub complex, single chain fusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	120.970, 26.990, 82.840
Unit cell angles	90.00, 125.95, 90.00

Refinement procedure

Resolution	48.967 - 2.004
R-factor	0.2432
Rwork	0.240
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vny 5j45
RMSD bond length	0.001
RMSD bond angle	0.358
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	2.076
High resolution limit [Å]	2.004	2.004
Rmerge	0.066	1.549
Rpim		0.934
Number of reflections	27084	1428
<I/σ(I)>	11.44	0.95
Completeness [%]	97.4	93.85
Redundancy	3.5	3.6
CC(1/2)	0.999	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	18% PEG 3350 0.1 M sodium citrate pH 5.5 Cryopreserved using 20% glycerol, 25% PEG 3350, 0.1 M sodium citrate 5.4