6KTS

Structure of C34N126K/N36

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	193.15
Detector technology	PIXEL
Collection date	2017-11-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97852
Spacegroup name	C 1 2 1
Unit cell lengths	88.855, 50.809, 56.114
Unit cell angles	90.00, 90.40, 90.00

Refinement procedure

Resolution	44.107 - 1.650
R-factor	0.2072
Rwork	0.206
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aik
RMSD bond length	0.025
RMSD bond angle	1.350
Data scaling software	XSCALE
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.107	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.053	0.833
Rmeas	0.057	0.907
Number of reflections	197894	30098
<I/σ(I)>	17.79	1.94
Completeness [%]	98.9	97.9
Redundancy	6.54
CC(1/2)	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	297	Ammonium acetate, BIS-TRIS, PEG 3350