6BBX

Crystal structure of TnmS3 in complex with TNM C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-06-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.310, 67.760, 83.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.310 - 2.200
R-factor	0.21837
Rwork	0.216
R-free	0.26042
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5upm
RMSD bond length	0.016
RMSD bond angle	1.937
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.310	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.170	0.837
Number of reflections	12754	1654
<I/σ(I)>	6.9	1.9
Completeness [%]	96.3	82.4
Redundancy	4.7	4.5
CC(1/2)	0.980	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	298	100 mM ammonium acetate, 100 mM bis-Tris, and 17% w/v polyethylene glycol 3350.