6PON

CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF FIBRONECTIN- BINDING PROTEIN PAVA FROM STREPTOCOCCUS PNEUMONIAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-04
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	75.873, 46.814, 83.678
Unit cell angles	90.00, 90.93, 90.00

Refinement procedure

Resolution	41.830 - 2.395
R-factor	0.17
Rwork	0.167
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h3x
RMSD bond length	0.008
RMSD bond angle	0.905
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.667	2.440
High resolution limit [Å]	2.395	2.395
Rmeas	0.110
Rpim	0.060	0.272
Number of reflections	23361	2228
<I/σ(I)>	7.1
Completeness [%]	99.0
Redundancy	3.26
CC(1/2)		0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	27% (w/v) PEG 4000, 0.2 M Ammonium Acetate, 0.1 M Sodium Citrate pH 5.6