2X0S

3.0 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOSOMAL PYRUVATE PHOSPHATE DIKINASE FROM TRYPANOSOMA BRUCEI

Replaces:  1H6Z

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2000-06-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	121.170, 153.500, 65.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.938 - 2.997
R-factor	0.1687
Rwork	0.165
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dik
RMSD bond length	0.009
RMSD bond angle	1.345
Data reduction software	XDS
Data scaling software	BIOMOL (SCALKB2 KBAPLY CCP4 TRUNCATE)
Phasing software	CNS
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.090	0.280
Number of reflections	24120
<I/σ(I)>	14.8	3.1
Completeness [%]	96.0	88.6
Redundancy	5.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8		HANGING DROP, 2 MICROLITER PROTEIN AND 2 MICROLITER PRECIPITANT SOLUTION. PROTEIN SOLUTION. 50 MG/ML, 20 MM IMIDAZOLE PH 7.0, 100 MM NACL, 100 MM MGCL2, 20% (V/V) GLYCEROL. PRECIPITANT SOLUTION. 0.1 M BICINE PH 8.8, 1.5 % (W/V) PEG 5000 MONOMETHYLETHER, 10 % (V/V) GLYCEROL