6ZS1

Chaetomium thermophilum CuZn-superoxide dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-04-10
Detector	MAR555 FLAT PANEL
Wavelength(s)	0.8047
Spacegroup name	P 61
Unit cell lengths	89.110, 89.110, 310.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.590 - 1.560
R-factor	0.1743
Rwork	0.173
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f1g
RMSD bond length	0.009
RMSD bond angle	1.047
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.590	1.640
High resolution limit [Å]	1.560	1.560
Rmeas	0.008	0.146
Number of reflections	194568	29651
<I/σ(I)>	15	1.15
Completeness [%]	98.0	92.2
Redundancy	5	2.8
CC(1/2)	0.999	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	289	NaK phosphate 1.2-1.4 M