4QXV

CRYSTAL STRUCTURE of HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN AT 1.1 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-11
Detector	PSI PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	42.694, 85.914, 63.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.520 - 1.120
R-factor	0.134
Rwork	0.133
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.010
RMSD bond angle	1.432
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.047	0.360
Number of reflections	91106
<I/σ(I)>	17.3	3.49
Completeness [%]	99.9	99.9
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	291	WT-TTR CONCENTRATION WAS 5 MG/ML IN 10 MM SODIUMPHOSPHATE PH 7.6, 100 MM POTASSIUMCLORIDE. WT-TTR WAS CO-CRYSTALLIZED AT ROOM TEMPERATURE WITH 5 MOLAR EXCESS OF LUTEOLIN IN 3.5% V/V GLYCEROL AND 1.3-1.6 M SODIUM CITRATE AT PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K