2UYI

Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	277
Detector technology	CCD
Collection date	2006-07-28
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	69.535, 80.139, 159.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.560 - 2.100
R-factor	0.24
Rwork	0.237
R-free	0.29400
Structure solution method	OTHER
RMSD bond length	0.024
RMSD bond angle	2.268
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.140
Number of reflections	52737
<I/σ(I)>	11.2
Completeness [%]	97.0
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		100 MM BIS-TRIS (PH 6.0) 200 MM AMMONIUM SULFATE, AND 18-20% PEG3350. 10 MM SRCL2