1GN0

Escherichia coli GlpE sulfurtransferase soaked with KCN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Spacegroup name	P 32
Unit cell lengths	53.796, 53.796, 30.346
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.177 *
Rwork	0.173
R-free	0.24800 *
Structure solution method	OTHER
RMSD bond length	0.013 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.032	0.234
Total number of observations	64419 *
Number of reflections	9094
<I/σ(I)>	23	2.5
Completeness [%]	95.7 *	84.7 *
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.0
3	1	drop	EDTA	3 (mM)
4	1	drop		100 (mM)
5	1	drop	glycerol	10 (%(v/v))
6	1	reservoir		0.1 (M)
7	1	reservoir	sodium acetate	0.1 (M)	pH4.6
8	1	reservoir	2-propanol	20 (%(v/v))