2HX1

Crystal structure of possible sugar phosphatase, HAD superfamily (ZP_00311070.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 2.10 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	2006-06-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97932, 0.91837, 0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	65.624, 119.462, 151.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.323 - 2.100
R-factor	0.18146
Rwork	0.179
R-free	0.23400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.433
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.323	29.320	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.152	0.045	0.635
Total number of observations		2772	18914
Number of reflections	70192
<I/σ(I)>	4.4	11.1	1.2
Completeness [%]	100.0	96.6	100
Redundancy	3.7	3.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.5	277	15.0% Ethanol, 0.2M MgCl2, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K