2X0Q

CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHESIS PROTEIN C (ALCC) WITH ATP FROM Bordetella bronchiseptica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-19
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	94.581, 129.440, 46.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.960
R-factor	0.18417
Rwork	0.182
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x0o
RMSD bond length	0.009
RMSD bond angle	1.173
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.090	0.550
Number of reflections	41914
<I/σ(I)>	20.8	3.5
Completeness [%]	99.9	99.8
Redundancy	7.2	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1 M MES PH 6.5, 1.7 M MGSO4, 0.18 M LI2S04 AND PROTEIN SOLUTION (2.5 MG/ML ALCC, 45 MM MES PH 6.5 AND 5 MM ADENOSINE, 5 MM N-HYDROXY-N-SUCCINYLPUTRESCINE, PRE INCUBATED FOR 30 MIN ON ICE), CRYSTALS SOAKED IN 25 MM ATP, 25 MM N-HYDROXY-N-SUCCINYLPUTRESCINE