3VVD

Crystal structure of TTC0807 complexed with Ornithine

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	2010-11-19
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.310, 71.127, 105.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.510 - 2.050
R-factor	0.20229
Rwork	0.200
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lst
RMSD bond length	0.014
RMSD bond angle	1.472
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.510	2.100
High resolution limit [Å]	2.050	2.050
Number of reflections	32657
Completeness [%]	99.5	100

Crystallization Conditions

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