5CLZ

X-ray structure of TTR mutant - T119M at 1.22A 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	2014-05-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97242
Spacegroup name	P 21 21 2
Unit cell lengths	42.910, 85.721, 63.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.370 - 1.220
R-factor	0.1637
Rwork	0.162
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pvl
RMSD bond length	0.023
RMSD bond angle	1.972
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.359	42.910	1.290
High resolution limit [Å]	1.220	3.860	1.220
Rmerge		0.026	1.109
Rmeas	0.046
Rpim	0.021	0.014	0.552
Total number of observations	337140	11197	46513
Number of reflections	69325
<I/σ(I)>	15.9	58.3	1.4
Completeness [%]	98.8	99.4	96
Redundancy	4.9	4.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	2.1M di-sodium malonate