1QNM

HUMAN MANGANESE SUPEROXIDE DISMUTASE MUTANT Q143N

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	90
Detector technology	AREA DETECTOR
Collection date	1997-05
Detector	SIEMENS
Spacegroup name	P 21 21 2
Unit cell lengths	75.500, 78.600, 67.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.300
R-factor	0.198 *
Rwork	0.199
R-free	0.29400 *
Structure solution method	ISOMORPHOUS REFINEMENT
Starting model (for MR)	1ABM
RMSD bond length	0.011
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000 *	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.092 *
Total number of observations	55987 *
Number of reflections	18015
<I/σ(I)>	8.4	3
Completeness [%]	96.4	80 *
Redundancy	2.5	2

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium acetate	40 (mM)
3	1	reservoir	mPEG2000	20 (%)
4	1	reservoir	ammonium sulfate	200 (mM)
5	1	reservoir	1,2,3-heptanetriol	0.8 (%)