2HOE

Crystal structure of N-acetylglucosamine kinase (TM1224) from Thermotoga maritima at 2.46 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.891940, 0.979083, 0.979251
Spacegroup name	P 31 1 2
Unit cell lengths	62.599, 62.599, 173.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.930 - 2.460
R-factor	0.219
Rwork	0.216
R-free	0.27100
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.029	46.000	2.550
High resolution limit [Å]	2.460	5.270	2.460
Rmerge	0.125	0.048	0.910
Number of reflections	14118	1552	1345
<I/σ(I)>	9.25	23.3	1.79
Completeness [%]	96.7	98.5	91.9
Redundancy	5.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7	277	0.2M KThioCyanate, 20.0% PEG-3350, No Buffer, pH 7.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K