6UTS

Crystal Structure of bacterial pirin YhhW in complex with nickel(II) from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03319
Spacegroup name	P 43 21 2
Unit cell lengths	108.870, 108.870, 83.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.390 - 3.090
R-factor	0.2334
Rwork	0.230
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tq5
RMSD bond length	0.009
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.390	3.102
High resolution limit [Å]	3.088	3.088
Rmerge	0.200
Rmeas	0.207
Number of reflections	9553	9607
<I/σ(I)>	15.08
Completeness [%]	98.9
Redundancy	25
CC(1/2)	0.990	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293.15	0.1 M MES (pH 6.5) and 14% (w/v) PEG 20,000