6Z9Z

Atomic resolution X-ray structure of the Uridine phosphorylase from Vibrio cholerae on crystals grown under microgravity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.7
Spacegroup name	P 1 21 1
Unit cell lengths	93.186, 97.061, 93.227
Unit cell angles	90.00, 119.97, 90.00

Refinement procedure

Resolution	46.610 - 1.040
R-factor	0.1264
Rwork	0.126
R-free	0.14200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eyp
RMSD bond length	0.007
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.7.02)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.765	46.613	1.090
High resolution limit [Å]	1.038	3.280	1.040
Rmerge		0.025	0.749
Rmeas	0.057	0.029	0.865
Rpim	0.029	0.014	0.428
Total number of observations	2625866	81950	386920
Number of reflections	683890	21817	98538
<I/σ(I)>	11.1	42.7	1.8
Completeness [%]	99.1	98.2	97.9
Redundancy	3.8	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	8.5	293.15	0.3 M MgCl2 x 6H2O, 19% (w/v) PEG 4000, 0.1 M Tris-HCl