5A58

The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen

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	P 2 21 21
Unit cell lengths	87.069, 121.964, 139.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.030 - 1.800
R-factor	0.15022
Rwork	0.149
R-free	0.17859
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	1.422
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.440
Number of reflections	129714
<I/σ(I)>	24.8	4.3
Completeness [%]	99.8	99.5
Redundancy	8.1	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1