2HCB

Structure of AMPPCP-bound DnaA from Aquifex aeolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Collection date	2005-03-01
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	99.076, 117.714, 200.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.510
R-factor	0.26738
Rwork	0.266
R-free	0.29796
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1L8Q RESIDUES 77 TO 240
RMSD bond length	0.007
RMSD bond angle	1.001
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.380
High resolution limit [Å]	3.510
Number of reflections	25439
<I/σ(I)>	6.6
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	292	50mM Na cacodylate, 125mM KCl, 125mM Kbr, 5% Glycerol, 25% 1,2-Propanediol, 5% PEG MME2K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K, pH 6.50