3M1P

Structure of ribose 5-phosphate isomerase type B from Trypanosoma cruzi, soaked with allose-6-phosphate

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	2009-02-08
Detector	ADSC QUANTUM 315r
Spacegroup name	P 42 21 2
Unit cell lengths	92.763, 92.763, 93.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.189
Rwork	0.187
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.128
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.710	29.420	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.105	0.038	0.268
Total number of observations		4048	18351
Number of reflections	18940
<I/σ(I)>	16.3	15.3	2.8
Completeness [%]	90.1	83	92.6
Redundancy	6.5	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	20% PEG3350, 0.2M sodium acetate, 0.1 M BIS-TRIS propane, pH 8.5, VAPOR DIFFUSION, temperature 293K