1U84

Crystal Structure of APC36109 from Bacillus stearothermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-12
Detector	SBC-2
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	44.781, 64.540, 29.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.790 - 1.600
R-factor	0.21045
Rwork	0.205
R-free	0.25972
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.295
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.042	0.192
Number of reflections	10761
<I/σ(I)>	16.3	6.7
Completeness [%]	92.2	67.4
Redundancy	8.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	Calcium Acetate, MES, isopropanol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6	295	Calcium Acetate, MES, isopropanol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K