1V1S

2-KETO-3-DEOXYGLUCONATE KINASE FROM THERMUS THERMOPHILUS (CRYSTAL FORM 2)

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 3
Unit cell lengths	145.831, 145.831, 74.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.400 - 3.200
R-factor	0.2391
Rwork	0.239
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v19
RMSD bond length	0.011
RMSD bond angle	1.600
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	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.095	0.261
Number of reflections	27126
<I/σ(I)>	9.46	2
Completeness [%]	92.9	82
Redundancy	3.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	VAPOUR-DIFFUSION SITTING DROP, AT 298 K. 10.0 MG/ML OF PROTEIN SOLUTION WAS MIXED WITH RESERVOIR SOLUTION CONTAINING 28% V/V MPD, 10 MM CALCIUM CHLORIDE AND 0.1 M TRISODIUM CITRATE BUFFER, PH 5.6.