6J1G

Crystal structure of HypX from Aquifex aeolicus, R9A-Q15A-R131A-R542A variant

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	2018-01-29
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	88.480, 88.480, 161.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.670 - 2.500
Rwork	0.180
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j0p
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.148	1.000
Rmeas	0.154	1.040
Rpim	0.041	0.270
Number of reflections	22960	2224
<I/σ(I)>	12.3	2.18
Completeness [%]	99.9	98.6
Redundancy	13.7	14.4
CC(1/2)	0.997	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15% PEG3350, 0.2M KNO3, Glycerol