5EB0

crystal form II of YfiB belonging to P41

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 41
Unit cell lengths	46.953, 46.953, 154.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.953 - 2.800
R-factor	0.195
Rwork	0.192
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3khn
RMSD bond length	0.009
RMSD bond angle	1.132
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.146	0.101	0.497
Total number of observations	89623
Number of reflections	8105
<I/σ(I)>	8.5
Completeness [%]	97.8	83.6	100
Redundancy	11.1	9.9	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M lithium sulfate monohydrate, 0.1 M Tris-HCl, 30%(w/v) polyethylene glycol 4000