6ELK

C.elegans MnSOD-3 mutant - Q142H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-11-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	P 41 21 2
Unit cell lengths	81.530, 81.530, 137.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.180 - 1.650
R-factor	0.18453
Rwork	0.183
R-free	0.21014
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4x9q
RMSD bond length	0.008
RMSD bond angle	1.248
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	REFMAC (5.8.0049)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.180	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.038	0.529
Rmeas	0.041	0.615
Rpim	0.017	0.309
Number of reflections	56496	3977
<I/σ(I)>	30.1	2.9
Completeness [%]	99.8	97.3
Redundancy	10.3	7
CC(1/2)	0.990	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	291	2.9 M Ammonium sulphate, 0.1 M Bicine pH 8.8