3E10

Crystal structure of Putative NADH Oxidase (NP_348178.1) from CLOSTRIDIUM ACETOBUTYLICUM at 1.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97908,0.97849
Spacegroup name	P 21 21 2
Unit cell lengths	82.077, 83.528, 51.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.273 - 1.400
R-factor	0.132
Rwork	0.130
R-free	0.16800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.569
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.273	29.270	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.096	0.054	0.501
Total number of observations		2943	18869
Number of reflections	70997
<I/σ(I)>		10.5	1.5
Completeness [%]	100.0	98.5	100
Redundancy	3.7	3.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	20.0000% PEG-8000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP