2BFO

Leishmania major pteridine reductase 1 in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	94.308, 103.493, 137.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.500 - 2.600
R-factor	0.229
Rwork	0.226
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e92
RMSD bond length	0.012
RMSD bond angle	1.337
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.090	0.220
Number of reflections	40607
<I/σ(I)>	13.6	5.5
Completeness [%]	96.8	92.6
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	293	15 MG/ML PROTEIN, 0.1M NAAC/HAC BUFFER PH 5.5, 12% MPEG 5000, 0.075M CAAC2, 293K