7C7B

Crystal structure of human TRAP1 with SJT009

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	PIXEL
Collection date	2017-11-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9795
Spacegroup name	H 3
Unit cell lengths	109.597, 109.597, 59.895
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.099 - 1.500
R-factor	0.175029741535
Rwork	0.173
R-free	0.20589
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y3n
RMSD bond length	0.008
RMSD bond angle	1.084
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.369
Number of reflections	42470	42470
<I/σ(I)>	32.7
Completeness [%]	99.2
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1M Na-acetate pH 4.6, 0.1M Ammonium acetate, 33% PEG 4000