4BR6

Crystal structure of Chaetomium thermophilum MnSOD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-19
Detector	MARRESEARCH
Spacegroup name	P 61
Unit cell lengths	69.140, 69.140, 300.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.959 - 2.000
R-factor	0.123
Rwork	0.120
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1var
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.360
Number of reflections	54201
<I/σ(I)>	25.4	4.1
Completeness [%]	99.0	88.8
Redundancy	6.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				16% PEG3350, 0.2 M NA FORMATE, 10MG/ML PROTEIN IN 10 MM TRIS-HCL BUFFER, PH 8.0