2BFP

Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin

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	94.103, 103.566, 137.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.500 - 2.550
R-factor	0.2
Rwork	0.198
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e92
RMSD bond length	0.008
RMSD bond angle	1.531
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	2.650
High resolution limit [Å]	2.550	2.550
Rmerge	0.080	0.260
Number of reflections	43624
<I/σ(I)>	17.2	5.6
Completeness [%]	98.2	98
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	293	15 MG/ML PROTEIN, 0.1M NAAC/HAC BUFFER PH 5.5, 13% MPEG 5000, 0.07M CAAC2, 293K