4PG3

Crystal structure of KRS complexed with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953725
Spacegroup name	P 21 21 2
Unit cell lengths	297.913, 59.027, 141.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.726 - 2.696
R-factor	0.1958
Rwork	0.193
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h02
RMSD bond length	0.003
RMSD bond angle	0.669
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.696
Number of reflections	69825
<I/σ(I)>	18.2
Completeness [%]	99.9
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1M Bis-Tris (6.5 pH), 2%v/v Tascimate (6.0 pH) and 20%w/v PEG-3350