3TE0

Crystal structure of HSC K148E

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	99.436, 118.468, 150.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.720 - 2.090
R-factor	0.17
Rwork	0.168
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.193
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	2.140
High resolution limit [Å]	2.080	5.700	2.100
Rmerge	0.105	0.065	0.693
Number of reflections	105425
<I/σ(I)>	8.8
Completeness [%]	99.9	98.4	100
Redundancy	7.1	6.6	7

Crystallization Conditions

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