3VVE

Crystal structure of TTC0807 complexed with Lysine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2010-10-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.844, 71.965, 105.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.310 - 2.000
R-factor	0.2037
Rwork	0.201
R-free	0.25991
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lst
RMSD bond length	0.012
RMSD bond angle	1.477
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]	27.310	2.051
High resolution limit [Å]	2.000	2.000
Number of reflections	36243
Completeness [%]	99.9	100

Crystallization Conditions

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