6HWL

Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	58.764, 97.435, 80.188
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	39.888 - 2.148
R-factor	0.2089
Rwork	0.207
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1200012387
RMSD bond length	0.002
RMSD bond angle	0.498
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.175	2.190
High resolution limit [Å]	2.148	2.150
Rmerge	0.113	1.543
Rmeas	0.122	1.660
Rpim	0.045	0.608
Number of reflections	46229	2340
<I/σ(I)>	11.8	1.3
Completeness [%]	98.3	99.2
Redundancy	7	7.3
CC(1/2)	0.998	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Bis-Tris pH 6.1, 16% (wt/vol) PEG 3350, 0.15 M MgCl2