6MRV

Sialidase26 co-crystallized with DANA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99995
Spacegroup name	I 1 2 1
Unit cell lengths	92.040, 116.700, 113.636
Unit cell angles	90.00, 106.34, 90.00

Refinement procedure

Resolution	60.780 - 1.800
R-factor	0.2036
Rwork	0.202
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q6k
RMSD bond length	0.004
RMSD bond angle	0.780
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.780	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	106390
<I/σ(I)>	6.6
Completeness [%]	99.7
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	20% PEG 6000, 0.1 M Tris-HCl pH 8.0