7MZV

Structure of yeast pseudouridine synthase 7 (PUS7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 2
Unit cell lengths	117.890, 171.800, 105.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.317 - 3.200
R-factor	0.2325
Rwork	0.230
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kkp
RMSD bond length	0.003
RMSD bond angle	1.208
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.320	46.270	3.420
High resolution limit [Å]	3.200	9.050	3.200
Rmerge	0.162	0.081	1.276
Rmeas	0.178	0.089	1.417
Rpim	0.074	0.037	0.606
Number of reflections	18019	874	3207
<I/σ(I)>	9.5		2
Completeness [%]	99.9		100
Redundancy	10.3	8.9	9.7
CC(1/2)	0.996	0.996	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2M Ammonium Sulfate, 10mM nickel(II) chloride, 100 mM TRIS pH 8.5