6L2R

IlvC, a ketol-acid reductoisomerase, from Streptococcus pneumoniae_E195S

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	2014-10-11
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.127, 104.437, 111.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.420 - 2.020
R-factor	0.2322
Rwork	0.230
R-free	0.26670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l2i
RMSD bond length	0.007
RMSD bond angle	0.846
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.430	2.100
High resolution limit [Å]	2.020	2.020
Number of reflections	53173	2617
<I/σ(I)>	68.9
Completeness [%]	99.8
Redundancy	13.6
CC(1/2)	0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M Tris-HCl pH 8.0, 0.1 M NaCl, 1.6 M ammonium sulfate