1WJG

Crystal structure of a probable ATP binding protein from thermus themophilus HB8

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	2003-07-04
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97898, 0.97927, 0.98200
Spacegroup name	P 43 21 2
Unit cell lengths	72.100, 72.100, 54.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.247
Rwork	0.247
R-free	0.26300
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.100
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]	43.400	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.059	0.320
Number of reflections	11879
<I/σ(I)>	43.6	9.9
Completeness [%]	100.0	100
Redundancy	13.5	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	20% PEG200, 0.1M MES, 0.04M Strontium chloride, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K