8K06

Pseudouridine 5'-monophosphate glycosylase from Arabidopsis thaliana -- PSU, R5P bound K185A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2023-05-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	72.560, 105.838, 73.555
Unit cell angles	90.00, 118.87, 90.00

Refinement procedure

Resolution	29.922 - 1.845
R-factor	0.1831
Rwork	0.182
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.197
Data scaling software	HKL-2000 (v717)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.845	4.010	1.860
Rmerge	0.137	0.086	1.109
Rmeas	0.164	0.105	1.314
Rpim	0.089	0.060	0.698
Number of reflections	81648	7672	8170
<I/σ(I)>	9.5
Completeness [%]	99.0	91.5	99.9
Redundancy	3.5	3.1	3.5
CC(1/2)	0.973	0.975	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	0.2M Lithium sulfate, 0.1M MES pH 6, 20% (w/v) PEG 4000