5ZMA

Structural basis for an allosteric Eya2 phosphatase inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95380
Spacegroup name	I 1 2 1
Unit cell lengths	143.985, 49.497, 144.957
Unit cell angles	90.00, 101.21, 90.00

Refinement procedure

Resolution	47.826 - 3.175
R-factor	0.2324
Rwork	0.229
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4egc
RMSD bond length	0.002
RMSD bond angle	0.551
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.830	47.830	3.390
High resolution limit [Å]	3.170	8.980	3.170
Rmerge	0.095	0.025	0.649
Rmeas	0.110	0.028	0.746
Rpim	0.054	0.014	0.364
Number of reflections	17212	809	3016
<I/σ(I)>	9.8
Completeness [%]	99.0	97.7	96.9
Redundancy	4	3.7	4
CC(1/2)	0.998	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Hepes 7.5, 200mM Nacl, 20% PEG 3350