5TVD

Crystal structure of Tm16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-08-16
Detector	RIGAKU RAXIS HR
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	85.970, 31.700, 63.750
Unit cell angles	90.00, 97.30, 90.00

Refinement procedure

Resolution	19.928 - 1.734
R-factor	0.1696
Rwork	0.168
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bd9
RMSD bond length	0.006
RMSD bond angle	0.822
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11rc2_2531: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.930	1.796
High resolution limit [Å]	1.734	1.734
Rmerge	0.040	0.178
Number of reflections	17974
<I/σ(I)>	10.05	3.58
Completeness [%]	99.3	98.2
Redundancy	1.8	1.7
CC(1/2)	0.995	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	288	22 mg/ml Tm16 in 5mM Bis(2-hydroxyethyl)aminotris(hydroxymethyl)methane pH 6.5 Buffer 0.1 M HEPES pH 7.5, 10% (v/v) isopropanol, 20% (w/v) PEG 4000