2HDF

Crystal structure of the Colicin I receptor Cir from E.coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97940, 0.97924, 0.97240
Spacegroup name	C 1 2 1
Unit cell lengths	90.593, 84.336, 99.458
Unit cell angles	90.00, 109.16, 90.00

Refinement procedure

Resolution	15.000 - 2.650
R-factor	0.24137
Rwork	0.239
R-free	0.29110
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.303
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.095	0.645
Number of reflections	40440
<I/σ(I)>	16.4	1.85
Completeness [%]	99.1	91.8
Redundancy	3.7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	7-8 G/L PROTEIN IN 0.02M TRIS PH7.5, 0.001M EDTA, 0.3M NACL, 1% N-OCTYL-2-HYDROXYETHYL SULFOXIDE MIXED AT 1:1 RATIO WITH 0.1M TRIS PH7.5, 0.02-0.05M SRCL2, 5% ISOPROPANOL, 32-40 % PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 294K