1JOA

NADH PEROXIDASE WITH CYSTEINE-SULFENIC ACID

Experimental procedure

Temperature [K]	110
Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	I 41 2 2
Unit cell lengths	153.730, 153.730, 189.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.179
Rwork	0.179
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SULFONIC ACID NADH PEROXIDASE
RMSD bond length	0.011
RMSD bond angle	25.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.930
High resolution limit [Å]	2.800	2.800
Rmerge	0.089	0.320
Total number of observations	534847 *
Number of reflections	28235 *
<I/σ(I)>		3
Completeness [%]	100.0	99.9
Redundancy	19	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG200	50 (%)
2	1	reservoir	Tris-HCl	100 (mM)
3	1	drop	glycerol	10 (%)
4	1	drop	protein	8 (mg/ml)
5	1	drop	Tris-HCl	10 (mM)