3BDD

CRYSTAL STRUCTURE OF A PUTATIVE MULTIPLE ANTIBIOTIC-RESISTANCE REPRESSOR (SSU05_1136) FROM STREPTOCOCCUS SUIS 89/1591 AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	50.734, 100.430, 68.695
Unit cell angles	90.00, 111.42, 90.00

Refinement procedure

Resolution	15.895 - 2.200
R-factor	0.225
Rwork	0.223
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.411
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.3.0040)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.895	15.895	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.066	0.035	0.417
Total number of observations		1826	8679
Number of reflections	31068
<I/σ(I)>	7.9	12.6	1.7
Completeness [%]	95.6	82.5	97.1
Redundancy	1.9	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	NANODROP, 0.2M NaCl, 20.0% PEG 8000, 0.1M Phosphate Citrate pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K