6BT4

Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9996
Spacegroup name	P 41 21 2
Unit cell lengths	76.560, 76.560, 97.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.316 - 2.306
R-factor	0.1881
Rwork	0.185
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pyw
RMSD bond length	0.008
RMSD bond angle	1.095
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.320	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.053	0.398
Number of reflections	13241	1272
<I/σ(I)>	21.29	3.95
Completeness [%]	99.4	97.92
Redundancy	6.6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	288	0.1 M sodium citrate pH 5.5, 2.0 M ammonium sulfate