5A0N

N-terminal thioester domain of protein F2 like fibronectin-binding protein from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-24
Detector	DECTRIS PILATUS
Spacegroup name	P 41 21 2
Unit cell lengths	59.860, 59.860, 121.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.710 - 1.300
R-factor	0.12087
Rwork	0.119
R-free	0.15140
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	1.505
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.670	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.050	0.300
Number of reflections	51670
<I/σ(I)>	33.8	7.4
Completeness [%]	93.6	62.7
Redundancy	23.9	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.02 M SODIUM L-GLUTAMATE, 0.02 M DL-ALANINE, 0.02 M GLYCINE, 0.02 M DL-LYSINE, 0.02 M DL-SERINE, 0.1 M MES/IMIDAZOLE PH 6.5, 10% PEG 4000, 20% GLYCEROL