6CYX

Crystal structure analysis of the L80F 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	2016-02-11
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	P 2 21 21
Unit cell lengths	73.420, 75.340, 242.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.420 - 2.300
R-factor	0.244
Rwork	0.241
R-free	0.29150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.486
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]	75.340	75.340	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.168	0.092	0.721
Rmeas	0.203	0.150	0.106
Rpim	0.109	0.069	0.051
Total number of observations	99493
Number of reflections	40915	1444	6118
<I/σ(I)>	3.2
Completeness [%]	68.2	69.5	70.5
Redundancy	2.4	3.9	2.1
CC(1/2)	0.958	0.948	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	100mM Bis-Tris pH 6.8, 25% PEG3350