2FL2

crystal structure of KSP in complex with inhibitor 19

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.800, 79.500, 159.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.26
Rwork	0.257
R-free	0.31600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.016
RMSD bond angle	2.110
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.570
High resolution limit [Å]	2.500	2.480
Rmerge	0.110	0.336
Number of reflections	18467
<I/σ(I)>	12	1.6
Completeness [%]	53.0	32
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	peg3350, potassium phosphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K