4Q5F

Crystal Structure of the Glutathione S-transferase from Ascaris lumbricoides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.784, 88.031, 97.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.788 - 2.448
R-factor	0.19
Rwork	0.188
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.801
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.448	2.450
Number of reflections	33374
<I/σ(I)>	10.1	2.6
Completeness [%]	96.3	83.6
Redundancy		6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	KCL, CaCl2, NaCacodylate, 10% PEG4000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K