6BEJ

Crystal structure of manganese superoxide dismutase from Xanthomonas citri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-12-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.670, 72.466, 87.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.982 - 1.894
R-factor	0.2052
Rwork	0.203
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rcv
RMSD bond length	0.004
RMSD bond angle	0.688
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.982	27.982	2.010
High resolution limit [Å]	1.890	5.580	1.890
Rmerge	0.056	0.027	0.453
Rmeas	0.062	0.030	0.500
Number of reflections	30880	1309	4727
<I/σ(I)>	17.75	44.39	3.57
Completeness [%]	98.3	97.3	95.2
Redundancy	5.601	5.336	5.351
CC(1/2)	0.999	0.999	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	291	0.1 M Bis Tris pH 6.1, 25% PEG 3350