1JOV

Crystal Structure Analysis of HI1317

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	115
Detector technology	CCD
Detector	BRUKER
Spacegroup name	C 1 2 1
Unit cell lengths	80.540, 38.860, 92.360
Unit cell angles	90.00, 110.16, 90.00

Refinement procedure

Resolution	15.000 - 1.570
Rwork	0.208
R-free	0.26000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.610
High resolution limit [Å]	1.570	1.570
Rmerge	0.031	0.240
Number of reflections	33851
<I/σ(I)>	13.4	3.1
Completeness [%]	94.3	81.7
Redundancy	6.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		30% 4K-PEG, 0.2M LiSO4, 0.1 M Tris pH 8.5 , VAPOR DIFFUSION, HANGING DROP