3ME7

Crystal structure of putative electron transport protein aq_2194 from Aquifex aeolicus VF5

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	68.090, 134.930, 37.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.830 - 1.500
R-factor	0.183
Rwork	0.182
R-free	0.21900
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.270
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.073	0.033	0.588
Number of reflections	53388
<I/σ(I)>	9.4
Completeness [%]	97.0	99.7	82.8
Redundancy	6.4	7.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	30% PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K