6J1F

Crystal structure of HypX from Aquifex aeolicus in complex with Tetrahydrofolic acid

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	2018-05-26
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	C 2 2 21
Unit cell lengths	80.020, 123.735, 290.004
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.314 - 2.100
R-factor	0.1792
Rwork	0.177
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j0p
RMSD bond length	0.008
RMSD bond angle	0.852
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	0.071	0.861
Rmeas	0.077	0.934
Rpim	0.030	0.360
Number of reflections	84116	8275
<I/σ(I)>	15.24	1.8
Completeness [%]	99.7	99.5
Redundancy	6.9
CC(1/2)	0.998	0.713

Crystallization Conditions

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