4AZB

Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	90.070, 90.070, 101.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.170 - 2.100
R-factor	0.17494
Rwork	0.173
R-free	0.20824
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yl6
RMSD bond length	0.009
RMSD bond angle	1.109
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.030	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.390
Number of reflections	28340
<I/σ(I)>	18.8	6.5
Completeness [%]	100.0	100
Redundancy	10.7	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1