5ZVG

The crystal structure of NSun6 from Pyrococcus horikoshii with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9777
Spacegroup name	P 1
Unit cell lengths	52.112, 52.983, 83.801
Unit cell angles	80.80, 80.75, 67.84

Refinement procedure

Resolution	48.781 - 2.500
R-factor	0.1819
Rwork	0.179
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wwq
RMSD bond length	0.005
RMSD bond angle	0.925
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.109	0.076	0.334
Rmeas	0.118	0.082	0.370
Rpim	0.044	0.031	0.155
Number of reflections	26076	1398	1019
<I/σ(I)>	6.9
Completeness [%]	91.9	98	70.7
Redundancy	6.6	7.2	4.9
CC(1/2)		0.992	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		286	magnesium acetate, cacodylate trihydrate, PEG8000