6I1D

Structure of the Ysh1-Mpe1 nuclease complex from S.cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	P 1 21 1
Unit cell lengths	43.380, 124.270, 63.450
Unit cell angles	90.00, 103.21, 90.00

Refinement procedure

Resolution	62.135 - 2.280
R-factor	0.175
Rwork	0.173
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i7v 2c7h
RMSD bond length	0.003
RMSD bond angle	0.545
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.130	2.320
High resolution limit [Å]	2.280	2.280
Rmerge	0.065	1.130
Rmeas	0.077	1.346
Rpim	0.041	0.716
Number of reflections	29524	1442
<I/σ(I)>	12.3	1.3
Completeness [%]	99.1	99.4
Redundancy	3.39	3.4
CC(1/2)	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.7	293	80 ul reservoir of 26 % w/v PEG 3000, 0.1 M CHES pH 8.7 The final drop of 400 nl comprised 200 nl protein and 200 nl crystallization buffer