2X0P

CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHETASE PROTEIN C (ALCC) WITH ADENOSINE FROM Bordetella bronchiseptica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-27
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	92.964, 128.948, 48.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.180 - 2.100
R-factor	0.19896
Rwork	0.196
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x0o
RMSD bond length	0.011
RMSD bond angle	1.261
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.110	0.580
Number of reflections	34630
<I/σ(I)>	12.54	2.1
Completeness [%]	99.6	99.9
Redundancy	4.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1 M MES PH 6.5, 1.6 M MGSO4, 0.14 M LI2S04 AND PROTEIN SOLUTION (2.5 MG/ML ALCC, 45 MM MES PH 6.5 AND 5 MM ADENOSINE, PRE INCUBATED FOR 30 MIN ON ICE)