4AZ7

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	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	78.500, 109.800, 112.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.120 - 1.700
R-factor	0.14358
Rwork	0.142
R-free	0.17221
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yl6
RMSD bond length	0.011
RMSD bond angle	1.356
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.390	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.400
Number of reflections	53749
<I/σ(I)>	22.2	5.8
Completeness [%]	100.0	99.9
Redundancy	9.8	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1