4D8E

High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-03-11
Detector	PSI PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 2
Unit cell lengths	114.606, 50.675, 37.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.541 - 1.497
R-factor	0.1596
Rwork	0.158
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.854
Data reduction software	MOSFLM
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.541	1.580	1.530
High resolution limit [Å]	1.497	1.550	1.497
Rmerge	0.100	0.483	0.573
Number of reflections	35933
<I/σ(I)>	23.7	2.6	1.7
Completeness [%]	99.6	99.5	95.5
Redundancy	2.4	4.5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2 M Magnesium Nitrate, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K