3FD0

Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_470671.1) from LISTERIA INNOCUA at 2.12 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97967
Spacegroup name	P 31 2 1
Unit cell lengths	131.890, 131.890, 116.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.185 - 2.120
R-factor	0.154
Rwork	0.152
R-free	0.18800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.643
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.185	29.185	2.200
High resolution limit [Å]	2.120	4.550	2.120
Rmerge	0.108	0.040	0.875
Number of reflections	66693	12989	13565
<I/σ(I)>	10.14	27.9	1.69
Completeness [%]	99.8	99.4	99.8
Redundancy	8.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2000M Ca(OAc)2, 10.0000% PEG-8000, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K