6JD2

Crystal structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+ at pH8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	149.564, 179.873, 187.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.530
R-factor	0.28
Rwork	0.188
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1np3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.610
High resolution limit [Å]	2.530	2.520
Rmerge	0.069	0.582
Number of reflections	165970	16118
<I/σ(I)>	22.2
Completeness [%]	99.4	97.5
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	15% PEG5000MME, 0.15M KSCN, 0.1M Tis-Cl, pH8.5 Cryo-protectant: 20% ethylene glycol