1NHS

AN L40C MUTATION CONVERTS THE CYSTEINE-SULFENIC ACID REDOX CENTRE IN ENTEROCOCCAL NADH PEROXIDASE TO A DISULFIDE

Experimental procedure

Spacegroup name	I 2 2 2
Unit cell lengths	77.300, 134.800, 145.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.174
Rwork	0.174
RMSD bond length	0.012 *
RMSD bond angle	2.700 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.054 *
Number of reflections	51780
Completeness [%]	85.9	69.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	25 (mM)
3	1	drop	EDTA	0.3 (mM)
4	1	drop	DTT	2 (mM)
5	1	reservoir	ammonium sulfate	1.9 (M)
6	1	reservoir	FAD	0.005 (mM)
7	1	reservoir	potassium phosphate	0.1 (M)