6J1E

Crystal structure of HypX from Aquifex aeolicus (Crystal Form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-15
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	88.320, 88.320, 162.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.160 - 2.400
Rwork	0.183
R-free	0.24110
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.096	0.670
Rmeas	0.100	0.694
Rpim	0.026	0.179
Number of reflections	25797	2502
<I/σ(I)>	19.47	4.26
Completeness [%]	99.4	99.1
Redundancy	14.5	14.7
CC(1/2)	0.998	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350, HEPES-NaOH