3TE1

Crystal structure of HSC T84A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	99.036, 118.413, 150.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 2.390
R-factor	0.215
Rwork	0.213
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.448
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.390	6.510	2.400
Rmerge	0.091	0.035	0.803
Number of reflections	69827
<I/σ(I)>	7.1
Completeness [%]	99.2	99.2	98.8
Redundancy	6.8	7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	298	PEG 400, pH 9.0, VAPOR DIFFUSION, temperature 298K