7Y6J

Crystal structure of human transthyretin variant A97S at pH 5.4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	86.405, 42.455, 64.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.130 - 1.380
R-factor	0.1518
Rwork	0.150
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qgb
RMSD bond length	0.005
RMSD bond angle	0.829
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.030	0.471
Rmeas	0.034	0.552
Rpim	0.016	0.283
Number of reflections	52718	4890
<I/σ(I)>	42.88	2.058
Completeness [%]	99.1	93.7
Redundancy	4.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	277	1.75 M Ammonium sulfate, 0.01 M Citrate buffer, pH 5.4