2E8C

Crystal structure of a hypothetical protein (Aq_1549) from Aquifex aeolicus VF5

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-14
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97882, 0.97945, 0.90
Spacegroup name	P 42 21 2
Unit cell lengths	65.470, 65.470, 59.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.560 - 2.100
R-factor	0.213
Rwork	0.213
R-free	0.25100
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.290	2.110
High resolution limit [Å]	2.040	2.040
Rmerge	0.084	0.336
Number of reflections	8728
Completeness [%]	99.9	100
Redundancy	13.04	13.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	50% PEG 200, 0.1M Citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K