6PKI

Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C56S C230S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	124.170, 124.170, 276.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.661 - 2.293
R-factor	0.1706
Rwork	0.170
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pkg
RMSD bond length	0.003
RMSD bond angle	0.581
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15_3459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.293	2.293
Number of reflections	97753	9602
<I/σ(I)>	21.9
Completeness [%]	100.0
Redundancy	28.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	50% PEG 200, 0.1M HEPES pH 6.5, soaked in 50mM N-acetylgucosamine and 50 mM mannose 6-phosphate without HEPES