2AMU

CRYSTAL STRUCTURE OF A PUTATIVE SUPEROXIDE REDUCTASE (TM0658) FROM THERMOTOGA MARITIMA AT 2.00 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162
Spacegroup name	I 2 2 2
Unit cell lengths	52.618, 77.305, 64.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.070 - 2.000
Rwork	0.147
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1do6
RMSD bond length	0.017
RMSD bond angle	1.743
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.070	28.070	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.072	0.032	0.401
Number of reflections	8148
<I/σ(I)>	8.6	14.8	1.9
Completeness [%]	88.8
Redundancy	3.2	3.1	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6	293	10.0% Glycerol, 5.0% PEG-1000, 30.0% PEG-600, 0.1M MES , pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K