3RF5

Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-03
Detector	RIGAKU RAXIS IV
Spacegroup name	P 31 2 1
Unit cell lengths	86.160, 86.160, 114.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.500 - 2.100
R-factor	0.166
Rwork	0.164
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3JQS
RMSD bond length	0.026
RMSD bond angle	1.867
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]	35.500	2.100
High resolution limit [Å]	2.100	2.100
Number of reflections	29381
<I/σ(I)>	8.1
Completeness [%]	100.0	100
Redundancy	10.4	10.2

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