4X9Q

MnSOD-3 Room Temperature Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2007-05-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	P 41 21 2
Unit cell lengths	81.465, 81.465, 137.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.190 - 1.770
R-factor	0.18256
Rwork	0.181
R-free	0.21431
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n0j
RMSD bond length	0.013
RMSD bond angle	1.493
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.190	1.870
High resolution limit [Å]	1.770	1.770
Rmerge	0.062	0.338
Number of reflections	45989
<I/σ(I)>	15.6	2.3
Completeness [%]	99.9	99.9
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium Sulphate, Bicine