6HWJ

Glucosamine kinase (crystal form A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	59.812, 96.070, 80.252
Unit cell angles	90.00, 106.69, 90.00

Refinement procedure

Resolution	40.736 - 1.979
R-factor	0.1778
Rwork	0.176
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u94 4o7o
RMSD bond length	0.006
RMSD bond angle	0.672
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MrBUMP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.736	2.010
High resolution limit [Å]	1.979	1.980
Rmerge	0.057	0.908
Rmeas	0.067	1.067
Rpim	0.036	0.557
Number of reflections	59488	2936
<I/σ(I)>	13.2	1.3
Completeness [%]	98.1	97.3
Redundancy	3.5	3.6
CC(1/2)	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Bis-Tris pH 6.1, 15% (wt/vol) PEG 3350, 0.2 M MgCl2