3R8F

Replication initiator DnaA bound to AMPPCP and single-stranded DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-28
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	99.797, 114.219, 201.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.487 - 3.366
R-factor	0.2499
Rwork	0.249
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hcb
RMSD bond length	0.009
RMSD bond angle	0.864
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.470
High resolution limit [Å]	3.350	3.350
Number of reflections	32862
<I/σ(I)>	13.5	2
Completeness [%]	98.9	99.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	15-35 mM sodium cacodylate, pH 6.5, 26% 1,2-propanediol, 1-2% PEG2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 291K