5F3K

X-Ray Crystallographic Structure of hTrap1 N-terminal Domain-apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2013-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	65.250, 65.250, 233.372
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.790 - 1.820
R-factor	0.18332
Rwork	0.182
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f5r
RMSD bond length	0.007
RMSD bond angle	0.835
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.790	1.850
High resolution limit [Å]	1.820	1.820
Rmerge		0.486
Number of reflections	52606
<I/σ(I)>	14	3.75
Completeness [%]	99.4	99.6
Redundancy	6.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	2 micro liter hTRAP1N, 25 mg/ml, in 30 mM TrisHCl pH 8.5, 0.15 M NaCl, and 1 mM TCEP was mixed with an equal volume of reservoir solution consisting of 100 mM HEPES pH 7.5, 100 mM CaCl2 , 23 percent PEG3350, 4 percent isopropanol, and 0.4 micro liter of 1 M LiCl2.