3EO3

Crystal structure of the N-acetylmannosamine kinase domain of human GNE protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97926
Spacegroup name	P 31 2 1
Unit cell lengths	127.946, 127.946, 127.247
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.840
R-factor	0.207
Rwork	0.205
R-free	0.24500
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.131
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.11)
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.940
High resolution limit [Å]	2.840	6.100	2.840
Rmerge	0.089	0.031	0.978
Number of reflections	29072
<I/σ(I)>	12.9
Completeness [%]	100.0	100	100
Redundancy	11.1	10.6	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	15% PEG-4000, 0.2M ammonium acetate, 0.1M sodium citrate, 1:100 (w/w) chymotrypsin and 0.005M ADP., pH 5.6, vapor diffusion, sitting drop, temperature 291K
2	VAPOR DIFFUSION, SITTING DROP	6	291	14.55% PEG-4000, 0.2M ammonium acetate, 0.1M sodium citrate, 1:100 (w/w) chymotrypsin and 0.005M ADP., pH 6.0, vapor diffusion, sitting drop, temperature 291K