2YLL

Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS-IV
Spacegroup name	I 2 2 2
Unit cell lengths	78.520, 109.420, 112.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.390 - 1.850
R-factor	0.16316
Rwork	0.161
R-free	0.20033
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.137
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX (CDE)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.090	0.380
Number of reflections	41605
<I/σ(I)>	25.2	7.2
Completeness [%]	99.9	100
Redundancy	16	15.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1