5ZVH

The crystal structure of NSun6 from Pyrococcus horikoshii with SFG

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	52.471, 52.941, 84.185
Unit cell angles	81.49, 81.38, 67.45

Refinement procedure

Resolution	41.409 - 2.500
R-factor	0.1846
Rwork	0.182
R-free	0.22950
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	0.112	0.056	0.327
Rmeas	0.122	0.060	0.368
Rpim	0.048	0.022	0.164
Number of reflections	26394	1411	954
<I/σ(I)>	5.8
Completeness [%]	92.2	98.3	67.1
Redundancy	6	7.1	4.4
CC(1/2)		0.995	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	magnesium acetate ,sodium cacodylate trihydrate , polyethylene glycol 8,000