4OJA

Structure of Hydra Cu-Zn superoxide dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 64 2 2
Unit cell lengths	70.360, 70.360, 148.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.492 - 2.277
R-factor	0.1959
Rwork	0.191
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1srd
RMSD bond length	0.013
RMSD bond angle	1.523
Data reduction software	PROCESS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	148.960	148.960	2.400
High resolution limit [Å]	2.277	7.200	2.280
Rmerge	0.115	0.043	0.200
Rpim		0.017	0.129
Total number of observations		2723	4878
Number of reflections	9755
<I/σ(I)>	16.8	37.7	5.3
Completeness [%]	92.6	94.8	87.2
Redundancy	5.8	7.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	0.1M Sodium Acetate Trihydrate, 8% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K