4ZGH

Structure of Sugar Binding Protein Pneumolysin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953
Spacegroup name	P 21 21 21
Unit cell lengths	24.857, 133.619, 220.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.513 - 2.900
R-factor	0.2045
Rwork	0.199
R-free	0.30690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hvn
RMSD bond length	0.022
RMSD bond angle	1.955
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.540	44.540	3.070
High resolution limit [Å]	2.900	8.690	2.900
Rmerge	0.157	0.045	0.693
Rpim	0.069	0.021	0.302
Total number of observations	105956	3924	16590
Number of reflections	17539
<I/σ(I)>	12.2	32.9	3.2
Completeness [%]	99.4	99.1	96.6
Redundancy	6	5.1	6.1
CC(1/2)	0.995	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	10% PEG 8000, 10% glycerol, 10% ethylene glycol, 100 mM HEPES buffer, 5 mM potassium gold cyanide