6CYL

Crystal Structure of Superoxide Dismutase double mutant (G74Q+Q149G) from Trichoderma reesei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-10-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	62.571, 78.433, 158.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.140 - 1.800
R-factor	0.2432
Rwork	0.242
R-free	0.26120
RMSD bond length	0.002
RMSD bond angle	0.492
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.140	79.140	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.157	0.055	0.649
Number of reflections	72980	662	4263
<I/σ(I)>	5.7
Completeness [%]	99.9	97.9	99.7
Redundancy	4.1	3.7	4
CC(1/2)	0.978	0.991	0.671

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 6.5