6L2K

IlvC, a ketol-acid reductoisomerase, from Streptococcus pneumoniae_R49E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-07
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.463, 104.318, 110.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.800 - 1.950
Rwork	0.207
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l2i
RMSD bond length	0.006
RMSD bond angle	1.009
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.810	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.097
Rmeas	0.028
Number of reflections	56967	2678
<I/σ(I)>	48.2
Completeness [%]	96.7
Redundancy	13
CC(1/2)	0.998	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.1 M HEPES pH 7.5, 0.1 M NaCl, 1.8 M ammonium sulfate, 25% glycerol