8J6H

Structure and allosteric regulation of the inosine 5'-monophosphate-specific phosphatase ISN1 from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 2
Unit cell lengths	147.391, 165.061, 82.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.089 - 2.441
R-factor	0.236825102162
Rwork	0.236
R-free	0.27881
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.731
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.440	2.450
Rmerge	0.110
Number of reflections	74898	7175
<I/σ(I)>	9.34
Completeness [%]	99.5	96.5
Redundancy	6.4	5.5
CC(1/2)	0.990	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295.15	0.26M ammonium dihydrogen phosphate, 35% glycerol