2YLA

INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH MX-300
Spacegroup name	P 1 21 1
Unit cell lengths	67.560, 115.710, 132.210
Unit cell angles	90.00, 99.67, 90.00

Refinement procedure

Resolution	29.970 - 2.700
R-factor	0.22579
Rwork	0.223
R-free	0.27272
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.005
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.150	0.280
Number of reflections	55076
<I/σ(I)>	8.9	4.6
Completeness [%]	99.9	100
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1