6J1H

Crystal structure of HypX from Aquifex aeolicus, Q15A-R131A-S194A-Q195A-N306A-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	PIXEL
Collection date	2018-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 2 2 21
Unit cell lengths	79.915, 124.409, 290.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.248 - 2.101
R-factor	0.2011
Rwork	0.200
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j0p
RMSD bond length	0.007
RMSD bond angle	0.796
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.059	0.840
Rmeas	0.064	0.910
Rpim	0.025	0.350
Number of reflections	84408	8263
<I/σ(I)>	17.09
Completeness [%]	99.8	98.5
Redundancy	6.7	6.5
CC(1/2)	0.999	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	12% PEG3350, HEPES-NaOH, Glycerol