5Y3O

Structure of TRAP1 complexed with DN320

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	P 41 21 2
Unit cell lengths	69.491, 69.491, 252.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.160 - 2.700
R-factor	0.2205
Rwork	0.218
R-free	0.27090
RMSD bond length	0.007
RMSD bond angle	1.139
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.080
Rpim	0.038
Number of reflections	17900
<I/σ(I)>	31.9
Completeness [%]	99.3
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 8000, sodium cacodylate, calcium acetate