1CII

COLICIN IA

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1994-04
Detector	MAR scanner 300 mm plate
Spacegroup name	C 2 2 21
Unit cell lengths	64.400, 178.600, 285.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.000
R-factor	0.241
Rwork	0.241
R-free	0.31200
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	19.340 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.130	0.309
Number of reflections	28266
<I/σ(I)>	5.7	1.7
Completeness [%]	84.0	73
Redundancy	3.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.2		PROTEIN WAS CRYSTALLIZED BY HANGING-DROP VAPOR DIFFUSION AGAINST RESERVOIRS OF 1.0 M NH4(SO4)2, 20 MM NA-CITRATE (PH 5.2), 200 MM NACL, STARTING WITH 6 MICROLITERS OF PROTEIN AT 2 MG/ML IN 20 MM NA-CITRATE (PH 5.2), 200 MM NACL, 5 MM DTT, AND 4 MICROLITERS RESERVOIR SOLUTION. THESE DROPS OF MUTANT PROTEIN WERE STREAK-SEEDED FROM STOCKS GENERATED FROM CRUSHED DIFFRACTION-QUALITY WILD-TYPE COLICIN IA CRYSTALS. CRYSTALS WERE HARVESTED TO 1.1 M NA2SO4, 200 MM NACL, 20 MM NA-CITRATE (PH 5.2), AND 5 MM DTT. FOR DERIVATIZATION, CRYSTALS WERE WASHED IN DTT-FREE HARVEST BUFFER AND SOAKED FOR ONE WEEK IN 1 MM CH3HGCL., vapor diffusion - hanging drop - streak seeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
2	1	drop	Na-citrate	20 (mM)
3	1	drop		200 (mM)
4	1	drop	dithiothreitol	5 (mM)
5	1	reservoir	ammonium sulfate	1.0 (M)
6	1	reservoir	sodium citrate	20 (mM)
7	1	reservoir		200 (mM)