8K07

Pseudouridine 5'-monophosphate glycosylase from Arabidopsis thaliana -- citrate 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	2019-04-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	57.299, 68.518, 73.095
Unit cell angles	117.88, 94.31, 109.38

Refinement procedure

Resolution	24.796 - 1.121
R-factor	0.2053
Rwork	0.205
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.153
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.160
High resolution limit [Å]	1.120	2.410	1.120
Rmerge	0.051	0.037	0.624
Rmeas	0.072	0.053	0.882
Rpim	0.051	0.037	0.624
Total number of observations	611922
Number of reflections	316141	31850	28136
<I/σ(I)>	6.5
Completeness [%]	92.4	93	82.1
Redundancy	1.9	1.9	1.9
CC(1/2)	0.993	0.992	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1M Sodium citrate pH6.5, 16% PEG 10000