5OFU

Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9700
Spacegroup name	P 21 21 21
Unit cell lengths	90.590, 109.250, 140.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.250 - 2.620
R-factor	0.19015
Rwork	0.189
R-free	0.21634
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fbp
RMSD bond length	0.009
RMSD bond angle	1.416
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.250	2.714
High resolution limit [Å]	2.620	2.620
Rmerge		0.770
Number of reflections	42513
<I/σ(I)>	12.4
Completeness [%]	99.9
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290.15	19% w/v PEG 3,350, 5% glycerol, 79% well buffer (0.05 M citric acid, 0.05 M Bis-Tris propane)