4A3Z

CpGH89CBM32-4 (seleno-methionine labeled) produced by Clostridium perfringens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	113
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	53.190, 53.190, 110.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.550
R-factor	0.13006
Rwork	0.128
R-free	0.17333
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.018
RMSD bond angle	1.649
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.640
High resolution limit [Å]	1.550	1.550
Rmerge	0.110	0.400
Number of reflections	23846
<I/σ(I)>	18.9	7.6
Completeness [%]	99.9	99.8
Redundancy	16.3	16.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1