3HVY

Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_348457.1) from Clostridium acetobutylicum at 2.00 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-08
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	58.830, 186.620, 93.710
Unit cell angles	90.00, 103.06, 90.00

Refinement procedure

Resolution	30.029 - 2.000
R-factor	0.147
Rwork	0.145
R-free	0.18700
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.633
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.029	30.029	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.056	0.029	0.346
Number of reflections	131295	26210	23106
<I/σ(I)>	9.52	25.4	1.6
Completeness [%]	97.0	99	90
Redundancy	3.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.43	277	0.9500M sodium citrate, 0.1M sodium cacodylate pH 6.43, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K