3GRG

Crystal structure of the F87M/L110M mutant of human transthyretin at pH 7.5

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	2008-04-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 1 21 1
Unit cell lengths	83.325, 61.925, 47.300
Unit cell angles	90.00, 89.93, 90.00

Refinement procedure

Resolution	24.720 - 1.900
R-factor	0.19383
Rwork	0.191
R-free	0.25496
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.018
RMSD bond angle	1.899
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0059)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.720	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.063	0.394
Number of reflections	41141
<I/σ(I)>	13.7	2.7
Completeness [%]	99.9	100
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	ZINC ACETATE 0.2 M, SODIUM CITRATE 0.1 M, AMMONIUM SULFATE 2,0M, PH 7.5; CRYSTALS WERE SOAKED IN MOTHER LIQUOR SUPPLEMENTED WITH 10 % GLYCEROL BEFORE FREEZING IN LIQUID NITROGEN, VAPOR DIFFUSION, HANGING DROP, temperature 298K