2AX3

CRYSTAL STRUCTURE OF A PUTATIVE CARBOHYDRATE KINASE (TM0922) FROM THERMOTOGA MARITIMA MSB8 AT 2.25 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	2005-02-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979245, 0.979078, 0.891940
Spacegroup name	I 4 2 2
Unit cell lengths	121.264, 121.264, 153.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.890 - 2.270
Rwork	0.159
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.572
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.890	28.890	2.380
High resolution limit [Å]	2.260	7.150	2.260
Rmerge	0.111	0.037	0.660
Number of reflections	27157
<I/σ(I)>	6.2	16.4	1.2
Completeness [%]	99.9
Redundancy	6.9	6.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6.5	277	1.6M NaCl, 0.1M Cacodylate, pH 6.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K