6L2I

IlvC, a ketol-acid reductoisomerase, from Streptococcus pneumoniae_WT

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	2013-11-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.063, 104.349, 110.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.630 - 1.690
Rwork	0.194
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1np3
RMSD bond length	0.007
RMSD bond angle	1.087
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]	41.630	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.068	0.470
Rmeas	0.071	0.486
Rpim	0.019	0.126
Number of reflections	88937	8757
<I/σ(I)>	58.1	6.16
Completeness [%]	99.0
Redundancy	14.4
CC(1/2)	0.998	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES pH 7.5, 0.1M NaCl 1.5 M Amminoum sulfate