1DQK

CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE IN THE REDUCED STATE AT 2.0 ANGSTROMS RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1998-05-01
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	49.840, 93.210, 99.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.700 - 2.000
R-factor	0.222 *
Rwork	0.222
R-free	0.24700
RMSD bond length	0.006
RMSD bond angle	29.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.700	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.242
Total number of observations	92775 *
Number of reflections	31825
<I/σ(I)>	19.2
Completeness [%]	98.7	95.7
Redundancy	2.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	PEG4000, Tris-hydrochloride, pH 8.0, glycerol, sodium chloride, ethanol, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	PEG4000	22 (%)
4	1	reservoir	Tris-HCl	100 (mM)
5	1	reservoir	glycerol	10 (%(v/v))
6	1	reservoir		200 (mM)
7	1	reservoir	ethanol	2 (%(v/v))