1TID

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 I

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)	0.9795
Spacegroup name	P 41
Unit cell lengths	49.465, 49.465, 265.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
Rwork	0.235
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ID 1L0O pdb entry ID 1H4Y
RMSD bond length	1.504
RMSD bond angle	0.010
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	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	24765
<I/σ(I)>	18.5	5.8
Completeness [%]	95.6	94.5
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.7	295.5	0.1M CHESS, 2-5% DMF, 2.0 M lithium sulfate, pH 9.7, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K