2BOV

Molecular recognition of an ADP-ribosylating Clostridium botulinum C3 exoenzyme by RalA GTPase

Replaces:  1WCA

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	2004-02-22
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	56.629, 90.836, 100.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.660
R-factor	0.206
Rwork	0.206
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1G24 AND 1UAD
RMSD bond length	0.006
RMSD bond angle	1.100
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.660	2.660
Rmerge	0.110	0.260
Number of reflections	15556
<I/σ(I)>	14.6	5.8
Completeness [%]	99.8	99.9
Redundancy	15.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.3		0.1M HEPES PH 7.3 12-15% ETHYLENE GLYCOL 14-18% PEG 8000