5NOD

PASTA subunit 4 of Streptococcus pneumoniae STKP crystallized with PEG and succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00003
Spacegroup name	P 65 2 2
Unit cell lengths	87.760, 87.760, 40.958
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.774 - 1.900
R-factor	0.2101
Rwork	0.209
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ouv
RMSD bond length	0.008
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.774	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.042	0.577
Rmeas	0.041	0.603
Rpim	0.012	0.164
Number of reflections	7718	550
<I/σ(I)>	42.7	4.67
Completeness [%]	99.9	100
Redundancy	12.386	11.773
CC(1/2)	1.000	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	15% PEG3350 0,1M Succinate pH 7.0