6J9N

NmeHNH+AcrIIC3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	193
Detector technology	PIXEL
Collection date	2017-07-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 64
Unit cell lengths	129.063, 129.063, 35.242
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.246 - 2.606
R-factor	0.2063
Rwork	0.205
R-free	0.22660
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.640
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.126	1.319
Number of reflections	10567	694
<I/σ(I)>	26.2
Completeness [%]	99.9
Redundancy	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M NaCl, 0.1M HEPES, pH 7.5, PEG 400