1NHQ

CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303

Experimental procedure

Spacegroup name	I 2 2 2
Unit cell lengths	77.600, 135.100, 146.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.183
Rwork	0.183
RMSD bond length	0.011 *
RMSD bond angle	2.600 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.000 *	2.040 *
Rmerge	0.094 *
Number of reflections	48245
Completeness [%]	94.1	96.3 *

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	3 (mg/ml)
2	1	drop	potassium phosphate	25 (mM)
3	1	drop	EDTA	0.3 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	reservoir	ammonium sulfate	1.9 (M)
6	1	reservoir	FAD	0.005 (mM)
7	1	reservoir	potassium phosphate	100 (mM)