6CYS

Crystal structure analysis of the D150G 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	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	79.040, 82.010, 133.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.022 - 1.850
R-factor	0.1618
Rwork	0.160
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.723
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]	69.890	69.890	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.084	0.044	0.332
Rmeas	0.106	0.047	0.055
Rpim	0.063	0.027	0.033
Number of reflections	72428	2194	10697
<I/σ(I)>	7.5
Completeness [%]	97.6	88.8	99.4
Redundancy	2.5	2.6	2.4
CC(1/2)	0.994	0.997	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	100mM Bis-Tris pH 6.0, 25% PEG3350