4F6E

Crystal Structure of the K182R, A183P mutant manganese superoxide dismutase from Sacchromyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-10-07
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	65.540, 66.250, 66.620
Unit cell angles	112.58, 103.63, 110.27

Refinement procedure

Resolution	37.653 - 1.600
R-factor	0.1658
Rwork	0.164
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsu
RMSD bond length	0.006
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.653	37.650	1.640
High resolution limit [Å]	1.600	7.150	1.600
Rmerge	0.035	0.022	0.170
Number of reflections	105023	1278	6075
<I/σ(I)>	22.69	45.28	6.79
Completeness [%]	90.2	96.2	70.8
Redundancy	3.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M tri-ammonium citrate, 20% (w/v) polyethylene glycol 3350, pH 7.0, vapor diffusion, hanging drop, temperature 277K