5UBA

Human RNA Pseudouridylate Synthase Domain Containing 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97891
Spacegroup name	P 43
Unit cell lengths	54.189, 54.189, 105.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 1.540
R-factor	0.1979
Rwork	0.198
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xpi
RMSD bond length	0.009
RMSD bond angle	1.442
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.570
High resolution limit [Å]	1.540	4.180	1.540
Rmerge	0.054	0.028	0.840
Number of reflections	44925
<I/σ(I)>	6.1
Completeness [%]	100.0	99.9	100
Redundancy	11	11.4	11.2
CC(1/2)		1.000	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350, 0.2 M CaCl2