6HWK

Glucosamine kinase (crystal form B)

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	58.202, 111.216, 150.589
Unit cell angles	90.00, 93.21, 90.00

Refinement procedure

Resolution	47.274 - 2.688
R-factor	0.2073
Rwork	0.205
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1200012387
RMSD bond length	0.002
RMSD bond angle	0.450
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]	47.274	2.740
High resolution limit [Å]	2.688	2.690
Rmerge	0.208	1.170
Rmeas	0.225	1.262
Rpim	0.085	0.469
Number of reflections	52817	2664
<I/σ(I)>	9.6	2.2
Completeness [%]	98.9	100
Redundancy	6.9	7.2
CC(1/2)	0.986	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Bis-Tris pH 5.7, 16.5% (wt/vol) PEG 3350, 0.15 M MgCl2