1XM7

The Crystal Structure of the Protein of Unknown Function AQ665 from Aquifex aeolicus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-26
Detector	SBC-2
Wavelength(s)	0.9795,0.9798,0.9465
Spacegroup name	P 21 21 2
Unit cell lengths	83.582, 94.596, 67.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 2.400
R-factor	0.209
Rwork	0.209
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.500
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.106	0.695
Number of reflections	21851
<I/σ(I)>	19.92	1.5
Completeness [%]	98.3	87.2
Redundancy	8.2	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1M Bis/Tris Propane, 2.8M Sodium Acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K