7WUX

Crystal structure of AziU3/U2 complexed with (5S,6S)-O7-sulfo DADH from Streptomyces sahachiroi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2021-10-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.872, 131.756, 157.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.873 - 1.800
Rwork	0.164
R-free	0.19340
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	1.196
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.873	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.050	0.260
Rmeas	0.060	0.283
Rpim	0.032	0.110
Number of reflections	106322	5231
<I/σ(I)>	20.4
Completeness [%]	99.6
Redundancy	6.3	6.5
CC(1/2)	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	20% PEG 3350, 0.2M Magnesium formic acid