6YGA

Crystal structure of the apo NatC complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	48.124, 140.421, 166.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.230 - 2.397
R-factor	0.1951
Rwork	0.194
R-free	0.22470
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	HKL2Map
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.230	46.230	2.540
High resolution limit [Å]	2.397	7.110	2.400
Rmerge	0.128	0.040	1.217
Rmeas	0.139	0.043	1.319
Number of reflections	85056	3239	13524
<I/σ(I)>	11.34	41.71	1.41
Completeness [%]	99.5	99.1	98.2
Redundancy	6.987	6.921	6.625
CC(1/2)	0.998	0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	14.5% PEG 4000, 150 mM ammonium iodide and 100 mM sodium citrate, pH 6.1