2Q2R

Trypanosoma cruzi glucokinase in complex with beta-D-glucose and ADP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-02-25
Detector	MAR scanner 180 mm plate
Wavelength(s)	0.8140, 0.9776, 0.9769, 0.9732
Spacegroup name	P 21 21 2
Unit cell lengths	107.937, 125.697, 65.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 2.100
R-factor	0.19716
Rwork	0.194
R-free	0.25809
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.324
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	52608
<I/σ(I)>	18.1	2
Completeness [%]	99.8	98.5
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	20% PEG3350 0.4 M di-ammonium hydrogen citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K