1PN9

Crystal structure of an insect delta-class glutathione S-transferase from a DDT-resistant strain of the malaria vector Anopheles gambiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2000-09-20
Detector	CUSTOM-MADE
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	50.200, 89.400, 100.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
Rwork	0.209
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dmGST21
RMSD bond length	0.006
RMSD bond angle	20.600 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.074	0.195
Total number of observations	118522 *
Number of reflections	26280
<I/σ(I)>	17.4	7.4
Completeness [%]	84.3	87.3 *
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG4000, 2-propanol, Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	100 (mM)	pH7.5
2	1	reservoir	PEG4000	30 (%)
3	1	reservoir	2-propanol	10 (%)