1TO9

Crystal structure of THI-4 protein from Bacillus subtilis

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	77
Detector technology	CCD
Collection date	2003-10-01
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	58.380, 58.380, 296.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.21237
Rwork	0.210
R-free	0.25689
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.199
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.045	0.117
Number of reflections	21219
<I/σ(I)>		7.5
Completeness [%]	99.7	99.7
Redundancy	7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	2M Hexanediol, 0.2M CaCl2, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	2M Hexanediol, 0.2M CaCl2, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	2M Hexanediol, 0.2M CaCl2, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K