1YAI

X-RAY STRUCTURE OF A BACTERIAL COPPER,ZINC SUPEROXIDE DISMUTASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1991-07-20
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	120.700, 87.000, 43.500
Unit cell angles	90.00, 90.60, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.149 *
Rwork	0.149
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sod
RMSD bond length	0.013
RMSD bond angle	17.802 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall
High resolution limit [Å]	1.900
Rmerge	0.049 *
Total number of observations	116490 *
Number of reflections	30277 *
Completeness [%]	83.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	20 *	macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	potassium phosphate	60 (mM)
3	1	reservoir	MPD	42 (%)
4	1	reservoir	potassium phosphate	60 (mM)