3VWI

High resolution crystal structure of FraC in the monomeric form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	77.170, 44.290, 114.710
Unit cell angles	90.00, 92.80, 90.00

Refinement procedure

Resolution	114.570 - 1.700
R-factor	0.1549
Rwork	0.153
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lim
RMSD bond length	0.020
RMSD bond angle	1.954
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.573	36.681	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.068	0.058	0.291
Rmeas		0.068	0.348
Rpim		0.035	0.188
Total number of observations		9927	26760
Number of reflections	80105
<I/σ(I)>	12.8	29.8	3.3
Completeness [%]	93.7	97.6	75.1
Redundancy	3.5	3.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	20% Jeffamine, 0.1M HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K