4HJ2

Crystal Structure Analysis of GSTA1-1 in complex with chlorambucil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Spacegroup name	C 1 2 1
Unit cell lengths	99.000, 93.530, 51.180
Unit cell angles	90.00, 93.91, 90.00

Refinement procedure

Resolution	34.490 - 2.100
Rwork	0.215
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.346
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.050	0.025	0.229
Number of reflections	23814
<I/σ(I)>	12.3
Completeness [%]	87.2	92.9	84.9
Redundancy	2.2	2.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1