2DVK

Crystal Structure of Hypothetical protein from Aeropyrum pernix

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	IMAGE PLATE
Collection date	2006-07-11
Detector	RIGAKU
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	55.870, 70.232, 91.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 1.800
R-factor	0.234
Rwork	0.234
R-free	0.24900
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.066
Number of reflections	16254
<I/σ(I)>	16.2
Completeness [%]	97.0	97
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	295	HEPES, PEG, pH 7.5, microbatch, temperature 295K
1	MICROBATCH	7.5	295	HEPES, PEG, pH 7.5, microbatch, temperature 295K
1	MICROBATCH	7.5	295	HEPES, PEG, pH 7.5, microbatch, temperature 295K