3OT7

Escherichia coli apo-manganese superoxide dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-18
Detector	NOIR-1
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	94.875, 106.548, 178.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.643 - 1.901
R-factor	0.194
Rwork	0.192
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vew
RMSD bond length	0.006
RMSD bond angle	1.033
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.000	44.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.069	0.040	0.546
Number of reflections	70968
<I/σ(I)>	12
Completeness [%]	99.9	99.9	99.4
Redundancy	7.2	7.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% PEG 6000, 0.1M Bicine, 1mM EDTA, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K