6IKM

Crystal structure of SpuE-Spermidine in complex with ScFv5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97791
Spacegroup name	P 1 21 1
Unit cell lengths	146.235, 481.804, 146.134
Unit cell angles	90.00, 120.08, 90.00

Refinement procedure

Resolution	46.473 - 3.398
R-factor	0.2301
Rwork	0.228
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ttn 4buh
RMSD bond length	0.009
RMSD bond angle	1.155
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.520
High resolution limit [Å]	3.400	7.320	3.400
Rmerge	0.134	0.060	0.569
Rmeas	0.152	0.067	0.661
Rpim	0.069	0.031	0.327
Total number of observations	1084709
Number of reflections	235574	23982	20836
<I/σ(I)>	5.1
Completeness [%]	98.6	99.8	87.6
Redundancy	4.6	4.7	3.4
CC(1/2)		0.993	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Bis-Tris, pH 5.5, 0.2M Li2SO4, 20% PEG3350