7R9G

Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	C 1 2 1
Unit cell lengths	104.195, 98.344, 72.239
Unit cell angles	90.00, 102.80, 90.00

Refinement procedure

Resolution	49.170 - 2.400
R-factor	0.2247
Rwork	0.222
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j37
RMSD bond length	0.002
RMSD bond angle	0.509
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.072	0.041	0.632
Rmeas	0.078	0.044	0.698
Rpim	0.030	0.017	0.291
Total number of observations	178541
Number of reflections	27638	1421	1300
<I/σ(I)>	8
Completeness [%]	99.6	100	95.1
Redundancy	6.5	6.5	5.3
CC(1/2)		0.998	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.05 M Ammonium sulfate, 0.05 M Bis-Tris pH 6.0, 26% Pentaerythritol ethoxylate