4QYA

Crystal structure of human transthyretin variant V30M in complex with luteolin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-17
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	42.894, 85.854, 63.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.806 - 1.700
R-factor	0.1643
Rwork	0.163
R-free	0.19750
Structure solution method	MOLREP
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.045	0.310
Number of reflections	26524
<I/σ(I)>	43.3	6.1
Completeness [%]	99.5	95.9
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	V30M-TTR CONCENTRATION WAS 5 MG/ML IN 10 MM SODIUMPHOSPHATE, PH 7.6, 100 MM POTASSIUMCLORIDE. V30M-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 298K