8JB3

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 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97954
Spacegroup name	I 41 2 2
Unit cell lengths	180.591, 180.591, 90.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.465 - 1.774
R-factor	0.211991224589
Rwork	0.211
R-free	0.23735
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.314
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	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.090
Number of reflections	72288	7534
<I/σ(I)>	19.3
Completeness [%]	99.9
Redundancy	13.6
CC(1/2)	0.990	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295.15	0.7 M ammonium dihydrogen phosphate, 0.07 M sodium citrate (pH 5.6), 30% glycerol