2NRA

Crystal structure of Pi initiator protein in complex with iteron DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.076
Spacegroup name	P 61 2 2
Unit cell lengths	125.900, 125.900, 138.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.100 - 3.100
R-factor	0.227
Rwork	0.224
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.854
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.100	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.064	0.449
Number of reflections	12173
<I/σ(I)>	44.9	4.2
Completeness [%]	99.5	100
Redundancy	10	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	5% polyethylene glycol 8000, 50 mM MgCl2 and 100 mM NH4H2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	5% polyethylene glycol 8000, 50 mM MgCl2 and 100 mM NH4H2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	5% polyethylene glycol 8000, 50 mM MgCl2 and 100 mM NH4H2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	polyethylene glycol 8000
2	1	1	MgCl2
3	1	1	NH4H2PO4
4	1	1	H2O
5	1	2	polyethylene glycol 8000
6	1	2	MgCl2
7	1	2	NH4H2PO4
8	1	2	H2O