4PA5

Tgl - a bacterial spore coat transglutaminase - cystamine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 41
Unit cell lengths	98.350, 98.350, 65.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.570 - 1.860
Rwork	0.167
R-free	0.21300
Structure solution method	MIR
Data scaling software	XDS (31-12-2013)
Phasing software	SHARP (2.8.2)
Refinement software	BUSTER-TNT (2.10)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.570
High resolution limit [Å]	1.860
Number of reflections	47409
<I/σ(I)>	12.1
Completeness [%]	84.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	41% (w/V) PEG 400 0.1 M sodium citrate pH 4.0 0.2 M lithium sulfate