7ME6

Structure of the apo form of YcnI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-13
Detector	RAYONIX MX-300
Wavelength(s)	.97872
Spacegroup name	P 63 2 2
Unit cell lengths	90.425, 90.425, 208.471
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.482 - 2.053
R-factor	0.1978
Rwork	0.196
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Cu YcnI (to be deposited)
RMSD bond length	0.007
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	2.110
High resolution limit [Å]	2.050	2.050
Rmeas	0.138
Number of reflections	59466	4302
<I/σ(I)>	12.06	1.77
Completeness [%]	99.8
Redundancy	11.1
CC(1/2)	0.997	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M citric acid, 2.394 M ammonium sulfate