1ZH8

Crystal structure of Oxidoreductase (TM0312) from Thermotoga maritima at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929
Spacegroup name	P 1 21 1
Unit cell lengths	64.849, 63.088, 101.172
Unit cell angles	90.00, 104.88, 90.00

Refinement procedure

Resolution	28.000 - 2.500
R-factor	0.19618
Rwork	0.194
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.389
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.960	28.960	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.085	0.047	0.374
Number of reflections	27566
<I/σ(I)>	6.9	12.7	2
Completeness [%]	99.9	94.8	100
Redundancy	3.7	3.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.5	277	8.0% Ethylene-Glycol, 10.0% PEG-8000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K