2FKY

crystal structure of KSP in complex with inhibitor 13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-08-20
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	69.200, 79.600, 159.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.24
Rwork	0.235
R-free	0.27300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.490
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	2.350
High resolution limit [Å]	2.270	2.270
Rmerge		0.209
Number of reflections	40862
<I/σ(I)>	24	4.8
Completeness [%]	99.0	97
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	PEG3350, potassium phospate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K