7SVS

Crystal structure analysis of the G73A 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]	80
Detector technology	IMAGE PLATE
Collection date	2016-02-11
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	95.170, 110.620, 180.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.140 - 2.800
R-factor	0.1937
Rwork	0.190
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kkc
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.170	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.195	0.949
Rmeas	0.212	0.059
Rpim	0.083	0.025
Total number of observations	313253
Number of reflections	47807	6840
<I/σ(I)>	10.1
Completeness [%]	100.0	100
Redundancy	6.6	6.6
CC(1/2)	0.986	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	291.15	25% polyethylene glycol (PEG) 3350, 0.1 mM Bis-Tris, pH 5.7