6L2S

IlvC, a ketol-acid reductoisomerase, from Streptococcus pneumoniae_D83G

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 1 21 1
Unit cell lengths	71.896, 68.516, 81.164
Unit cell angles	90.00, 94.58, 90.00

Refinement procedure

Resolution	30.300 - 2.290
R-factor	0.2109
Rwork	0.209
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l2i
RMSD bond length	0.008
RMSD bond angle	0.941
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]	30.300	2.370
High resolution limit [Å]	2.290	2.290
Number of reflections	35335	1753
<I/σ(I)>	50
Completeness [%]	99.8
Redundancy	7.1
CC(1/2)	0.997	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES pH 7.5, 0.1 M NaCl, 1.8 M ammonium sulfate