4DB3

1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 64
Unit cell lengths	80.400, 80.400, 110.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.450 - 1.950
R-factor	0.17011
Rwork	0.168
R-free	0.19848
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ap1
RMSD bond length	0.011
RMSD bond angle	1.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.052	0.557
Number of reflections	29453
<I/σ(I)>	23.1	2
Completeness [%]	99.9	100
Redundancy	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Protein solution: 2.5 mG/mL, 0.3M Sodium chloride, 0.01M HEPES pH 7.5. Screen solution: 0.1M Lithium sulfate, 0.1M Bis-Tris Propane pH 7.0. Cryo: 0.1M Li Sulfate, 0.1M Bis-Tris Propane, 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K