1NTD

STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE MUTANT M150E THAT CONTAINS ZINC

Experimental procedure

Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	H 3
Unit cell lengths	127.760, 127.760, 67.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.172
Rwork	0.172
R-free	0.23200
RMSD bond length	0.011
RMSD bond angle	27.300 *
Data reduction software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.300
Rmerge	0.061	0.199 *
Number of reflections	17281	4167 *
Completeness [%]	93.0	90 *
Redundancy	2	1.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MES	10 (mM)
3	1	reservoir	PEG4000	25 (%)
4	1	reservoir	sodium acetate	0.1 (M)