3RF4

Ancylostoma ceylanicum mif in complex with furosemide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-13
Detector	ADSC QUANTUM 315r
Spacegroup name	P 31 2 1
Unit cell lengths	86.690, 86.690, 115.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.540 - 1.800
R-factor	0.171
Rwork	0.169
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2os5
RMSD bond length	0.050
RMSD bond angle	2.340
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0091)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.540	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	44447
<I/σ(I)>	5.2	2.7
Redundancy	8.8	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		0.1 M IMIDAZOLE, 0.16-0.24 M ZINC ACETATE, 15-25% PEG3000, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K