3R8E

Crystal structure of a putative sugar kinase (CHU_1875) from Cytophaga hutchinsonii ATCC 33406 at 1.65 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-26
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	71.827, 78.359, 65.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 1.650
R-factor	0.2147
Rwork	0.214
R-free	0.23460
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.890	29.891	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge		0.066	0.754
Rmeas	0.111	0.076	0.850
Rpim	0.050	0.036	0.387
Total number of observations	219449	2335	14552
Number of reflections	45238
<I/σ(I)>	7.9	17.5	1.9
Completeness [%]	99.7	97	96.3
Redundancy	4.9	4.1	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% polyethylene glycol 3350, 0.2M sodium citrate, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, VAPOR DIFFUSION, SITTING DROP