4TSL

Crystal structure of FraC with POC bound (crystal form I)

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	2012-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	64.740, 64.740, 219.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.370 - 1.600
R-factor	0.14954
Rwork	0.149
R-free	0.17238
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vwi
RMSD bond length	0.023
RMSD bond angle	2.336
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.370	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.103	0.800
Number of reflections	62950
<I/σ(I)>	17.5	3.9
Completeness [%]	100.0	100
Redundancy	13.8	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM POC, 3 mM DDM, 200 mM Li2SO4, 100 mM ammonium formate, 24% PEG 8000, 100 sodium acetate