1TIL

Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA:Poised for phosphorylation complex with ATP, crystal form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 41 2 2
Unit cell lengths	115.133, 115.133, 256.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
Rwork	0.234
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ID 1L0O pdb entry ID 1H4Y
RMSD bond length	0.007
RMSD bond angle	1.262
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	51695
<I/σ(I)>	12.2	1.8
Completeness [%]	97.6	88.9
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295.5	0.1 M sodium citrate, 0.42 M ammonium sulfate, 1.0 M lithium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K