5VBB

Human RNA Pseudouridylate Synthase Domain Containing 1

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	2017-02-18
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97914
Spacegroup name	C 2 2 21
Unit cell lengths	55.200, 92.440, 88.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.520 - 1.940
R-factor	0.181
Rwork	0.179
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.940	5.260	1.940
Rmerge	0.083	0.056	0.809
Rmeas	0.087	0.059	0.858
Rpim	0.027	0.019	0.277
Total number of observations	166822
Number of reflections	17148
<I/σ(I)>	5.1
Completeness [%]	99.4	98.9	96.7
Redundancy	9.7	9.3	8.3
CC(1/2)		0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	21% PEG 3350, 0.2 M LiSO4, 0.1 M BisTris pH6.5