2OTO

N-terminal fragment of Streptococcus pyogenes M1 protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97929,0.97945,0.95666,1.008
Spacegroup name	P 21 21 2
Unit cell lengths	119.374, 83.405, 93.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.760 - 3.040
R-factor	0.337
Rwork	0.337
R-free	0.33800
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.361
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.09)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.140
High resolution limit [Å]	3.030	3.030
Rmerge	0.076	0.376
Number of reflections	18530
<I/σ(I)>	7.9
Completeness [%]	99.4	98.5
Redundancy	5.7	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K