2Z2N

Crystal Structure of selenomethionine substituted virginiamycin B lyase from Staphylococcus aureus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	95
Detector technology	CCD
Collection date	2004-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9000, 0.9798, 1.0600
Spacegroup name	C 1 2 1
Unit cell lengths	92.970, 34.752, 86.601
Unit cell angles	90.00, 117.86, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.16092
Rwork	0.156
R-free	0.20309
Structure solution method	MAD
RMSD bond length	0.025
RMSD bond angle	2.271
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.650	1.650
Number of reflections	29320
<I/σ(I)>	18.5	3.7
Completeness [%]	96.7	78.2
Redundancy	7.5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	100mM phosphate citrate buffer (pH 4.2), 15%(w/v) PEG 8000, 10-17%(v/v) PEG 500MME, 175mM NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K