6K2G

Structure of FraE in the monomer state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	54.960, 42.890, 71.860
Unit cell angles	90.00, 97.64, 90.00

Refinement procedure

Resolution	35.640 - 2.220
R-factor	0.18927
Rwork	0.187
R-free	0.23023
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vwi
RMSD bond length	0.014
RMSD bond angle	1.820
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.700	2.340
High resolution limit [Å]	2.220	2.220
Rmerge	0.162	0.594
Rpim	0.078	0.277
Number of reflections	16687	2412
<I/σ(I)>	7.7	2.6
Completeness [%]	99.9	100
Redundancy	5.1	5.3
CC(1/2)	0.987	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293.15	200 mM sodium formate 20% (w/w) PEG 3350