2E8E

Crystal Structure of a hypothetical protein (Aq_1549) from Aquifex aeolicus VF5 (Reduced form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 42 21 2
Unit cell lengths	65.516, 65.516, 59.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.580 - 1.700
R-factor	0.209
Rwork	0.209
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e8c
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.064	0.367
Number of reflections	14883
Completeness [%]	99.9	100
Redundancy	10	10.1

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