1UZI

C3 EXOENZYME FROM CLOSTRIDIUM BOTULINUM, TETRAGONAL FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-29
Detector	ADSC CCD
Spacegroup name	I 4
Unit cell lengths	73.293, 73.293, 218.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.890
R-factor	0.207
Rwork	0.205
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g24
RMSD bond length	0.019
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.094	0.357
Number of reflections	41904
<I/σ(I)>	15.3	4.4
Completeness [%]	91.6	91.8
Redundancy	16.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		18% PEG3350, 3% SAT. NA3VO4, 0.15M NACL,0.1M IMIDAZOLE/MALATE, PH5.5, pH 5.50