5W4D

C. japonica N-domain, Selenomethionine mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	133.300, 94.800, 72.500
Unit cell angles	90.00, 91.40, 90.00

Refinement procedure

Resolution	48.466 - 1.599
R-factor	0.1577
Rwork	0.157
R-free	0.18980
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.466	1.656
High resolution limit [Å]	1.599	1.599
Rmerge	0.047	0.877
Rpim	0.018	0.348
Number of reflections	227476	11239
<I/σ(I)>	24.44	2.3
Completeness [%]	97.1	95.16
Redundancy	7.6	7.2
CC(1/2)	0.999	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM Imidazole pH 7.5, 40-45% PEG 400, 1 mM TCEP pH 7.4