1RH1

crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9796,0.9183
Spacegroup name	C 2 2 21
Unit cell lengths	132.162, 138.167, 106.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.224
Rwork	0.197
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.015 *
RMSD bond angle	3.414
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.500
Rmerge	0.062
Number of reflections	17631
<I/σ(I)>	10
Completeness [%]	99.5
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	4 *	MES, PEG, Zn Acetate, octyl glucoside, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2-32 (mg/ml)
2	1	drop	Tris-HCl	40 (mM)	pH8.0
3	1	drop		150 (mM)
4	1	reservoir	MES	100 (mM)	pH6.0
5	1	reservoir	PEG4000	10 (%)
6	1	reservoir		200 (mM)