2AFB

Crystal structure of 2-dehydro-3- deoxygluconokinase (EC 2.7.1.45) (tm0067) from THERMOTOGA MARITIMA at 2.05 A resolution

Replaces:  1J5V

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	2001-07-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979413, 0.904964, 0.979150
Spacegroup name	H 3 2
Unit cell lengths	120.993, 120.993, 260.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.630 - 2.050
R-factor	0.177
Rwork	0.176
R-free	0.23000
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.550
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SnB
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.690	49.690	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge	0.077	0.040	0.381
Number of reflections	45533
<I/σ(I)>	6.6	12.4	1.9
Completeness [%]	98.2		89.9
Redundancy	4.6	4.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7	273	50.0% PEG-200, 0.1M Tris pH 7.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 273K