3VVF

Crystal structure of TTC0807 complexed with Arginine

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]	95
Detector technology	CCD
Collection date	2011-07-01
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.935, 68.838, 104.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.690 - 1.900
R-factor	0.19347
Rwork	0.191
R-free	0.23976
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lst
RMSD bond length	0.011
RMSD bond angle	1.334
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.690	1.948
High resolution limit [Å]	1.900	1.900
Number of reflections	40039
Completeness [%]	99.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2M Ammonium sulfate, 20% PEG4000, 10mM Arginine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K