4FET

Catalytic domain of germination-specific lytic tansglycosylase SleB from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	53.850, 64.450, 84.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.220 - 1.909
R-factor	0.20511
Rwork	0.203
R-free	0.24867
Structure solution method	MAD
RMSD bond length	0.023
RMSD bond angle	2.169
Data reduction software	CCP4
Data scaling software	CCP4
Phasing software	PHENIX
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.220	2.000
High resolution limit [Å]	1.909	1.909
Number of reflections	23345
Completeness [%]	99.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8		1:1 mixture of 2.5 mg/mL protein and a crystallization solution composed of 0.2M ammonium sulfate, 0.1M Bis-Tris (pH 5.8) and 15% w/v polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	5.8		1:1 mixture of 2.5 mg/mL protein and a crystallization solution composed of 0.2M ammonium sulfate, 0.1M Bis-Tris (pH 5.8) and 15% w/v polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP