7EF6

Crystal Structure of Xanthosine monophosphate phosphatase in the unliganded state

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	2017-09-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	37.063, 55.276, 57.154
Unit cell angles	90.00, 93.86, 90.00

Refinement procedure

Resolution	27.638 - 1.340
R-factor	0.191001893214
Rwork	0.190
R-free	0.22634
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onn 3nuq 3opx
RMSD bond length	0.012
RMSD bond angle	1.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.390
High resolution limit [Å]	1.340	1.340
Rmerge		0.273
Number of reflections	51330	4973
<I/σ(I)>	31.1
Completeness [%]	98.9	96.9
Redundancy	5.4	4.9
CC(1/2)	0.993	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1M Tris (pH 8.5) 20%(w/v) PEG6000