7C05

Crystal structure of human Trap1 with DN203495

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 41 21 2
Unit cell lengths	69.891, 69.891, 255.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.420 - 2.590
R-factor	0.224990276014
Rwork	0.222
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y3n
RMSD bond length	0.003
RMSD bond angle	0.558
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	2.640
High resolution limit [Å]	2.590	2.600
Rmerge	0.070	0.521
Number of reflections	20501	20501
<I/σ(I)>	21.1
Completeness [%]	99.3
Redundancy	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.76	293	0.1M Cacodylate pH 6.76, 0.1M Ca-acetate, 14% PEG 20000