6IGG

Crystal structure of FT condition 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	39.618, 48.715, 73.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.740 - 1.000
R-factor	0.1172
Rwork	0.116
R-free	0.13560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wkp
RMSD bond length	0.013
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.020
High resolution limit [Å]	1.000	1.000
Number of reflections	75289	3370
<I/σ(I)>	11.9	1.2
Completeness [%]	97.1
Redundancy	5.7
CC(1/2)	0.998	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG1500, MPD, and 0.1 M Tris-HCl, pH 8.5