4Z1G

Crystal structure of human Trap1 with BIIB-021

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	2013-11-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	69.458, 69.458, 252.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.488 - 3.100
R-factor	0.2252
Rwork	0.222
R-free	0.28140
RMSD bond length	0.006
RMSD bond angle	1.082
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	3.100
Number of reflections	11899
<I/σ(I)>	20.1
Completeness [%]	98.5
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	16% PEG 8K, 100 mM calcium acetate, and 100 mM sodium cacodylate