4DEW

Crystal Structure of the Wild Type TTR Binding Luteolin (TTRwt:LUT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4586
Spacegroup name	P 21 21 2
Unit cell lengths	43.264, 84.782, 65.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.007 - 1.899
R-factor	0.1843
Rwork	0.183
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cfm
RMSD bond length	0.036
RMSD bond angle	1.624
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.970
High resolution limit [Å]	1.899	4.090	1.899
Rmerge	0.077	0.040	0.380
Number of reflections	19276
<I/σ(I)>	8.2
Completeness [%]	98.6	99.9	90.2
Redundancy	3.9	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M calcium chloride, 0.1 M HEPES, pH 7.5, 28% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 293K