3K8C

Complex of Trypanosoma cruzi ribose 5-phosphate isomerase type B with 4-deoxy-4-phospho-D-erythronohydroxamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-09
Detector	ADSC QUANTUM 315r
Spacegroup name	P 42 21 2
Unit cell lengths	92.387, 92.387, 94.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.21859
Rwork	0.217
R-free	0.25336
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k7p
RMSD bond length	0.013
RMSD bond angle	1.396
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.938	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.097	0.451
Number of reflections	23175
<I/σ(I)>	14.7	1.3
Completeness [%]	96.0	95.9
Redundancy	4.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% (w/v) PEG 6000, 0.2 M ammonium chloride, 0.1 M Tris-HCl, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K