3NES

V30M mutant human transthyretin (TTR) complexed with GC-1 (V30M:GC-1)

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	2009-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.43016
Spacegroup name	P 21 21 2
Unit cell lengths	43.731, 85.451, 64.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.590 - 1.750
R-factor	0.184
Rwork	0.182
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.676
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.451	30.060	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.073	0.057	0.444
Total number of observations		4588	19983
Number of reflections	30636
<I/σ(I)>	14.5	8.4	1.7
Completeness [%]	94.7	96.2	91.4
Redundancy	4.6	4.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M CaCl2, 0.1 M HEPES pH 7.5, 28% PEG 400, vapor diffusion, hanging drop, temperature 293K