5F13

Structure of Mn bound DUF89 from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	223.035, 95.550, 78.097
Unit cell angles	90.00, 105.84, 90.00

Refinement procedure

Resolution	30.174 - 2.393
R-factor	0.2013
Rwork	0.199
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pt1
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (dev_1888)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.174	2.440
High resolution limit [Å]	2.393	2.393
Rmerge	0.054	0.540
Number of reflections	60334
<I/σ(I)>	15.03	1.9
Completeness [%]	97.1
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% P3350 ,0.1 M NH4 dihydrogen Phosphate, 5mM MnCl2