3ZML

Anopheles funestus glutathione-s-transferase epsilon 2 (GSTe2) protein structure from different alelles: A single amino acid change confers high level of DDT resistance and cross resistance to permethrin in a major malaria vector in Africa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-02
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.250, 73.040, 129.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.484 - 1.639
R-factor	0.1891
Rwork	0.188
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2imi
RMSD bond length	0.021
RMSD bond angle	1.941
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.480	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.130	0.700
Number of reflections	58184
<I/σ(I)>	9	3.4
Completeness [%]	99.7	99.4
Redundancy	6.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				25% W/V PEG 1500 AND 0.1M PCB, BUFFER PH 6.0