4X36

Crystal structure of the autolysin LytA from Streptococcus pneumoniae TIGR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	101.282, 101.282, 119.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.632 - 2.101
R-factor	0.1836
Rwork	0.183
R-free	0.19900
RMSD bond length	0.008
RMSD bond angle	1.084
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.469
Number of reflections	36872
<I/σ(I)>	17	4.9
Completeness [%]	99.8	100
Redundancy	9.3	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.1 M Bis-tris propane pH 7.0, 1.3 M ammonium tartrate dibasic