1V19

2-KETO-3-DEOXYGLUCONATE KINASE FROM THERMUS THERMOPHILUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 63
Unit cell lengths	84.825, 84.825, 168.494
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.620 - 2.300
R-factor	0.1529
Rwork	0.153
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rkd
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.061	0.400
Number of reflections	32439
<I/σ(I)>	29.6	2.9
Completeness [%]	99.5	97.1
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.7	291	MICROBATCH METHOD AT 291 K. 22.8 MG/ML OF PROTEIN SOLUTION WAS MIXED WITH 44% MPD, 10% DIOXANE AND 0.1 M HEPES BUFFER PH 7.7.