6CYP

Crystal structure analysis of the H75I mutant of Superoxide Dismutase from Trichoderma reesei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 2 21 21
Unit cell lengths	73.430, 75.130, 241.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.095 - 2.000
R-factor	0.1602
Rwork	0.159
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.584
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.810	63.810	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.076	0.032	0.258
Rmeas	0.082	0.058	0.035
Rpim	0.031	0.021	0.013
Number of reflections	91261	3141	13110
<I/σ(I)>	17
Completeness [%]	99.9	99.2	99.5
Redundancy	6.8	6.6	6.4
CC(1/2)	0.997	0.999	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	25% polyethylene glycol (PEG) 3350, 0.1 mM Bis-Tris, pH 6.0