3MCP

Crystal structure of Glucokinase (BDI_1628) from Parabacteroides distasonis ATCC 8503 at 3.00 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	2009-07-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97911
Spacegroup name	P 43 21 2
Unit cell lengths	80.732, 80.732, 142.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.748 - 3.000
R-factor	0.209
Rwork	0.206
R-free	0.24900
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.919
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.748	28.750	3.080
High resolution limit [Å]	3.000	13.420	3.000
Rmerge	0.130	0.046	0.716
Total number of observations		703	5232
Number of reflections	10015
<I/σ(I)>	14.8	13	1.1
Completeness [%]	99.9	90.6	100
Redundancy	7	5.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	10.0000% Glycerol, 3.6000M NaFormate, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K