1A1G

DSNR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCGT SITE)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	1996-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	43.300, 55.800, 129.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.222 *
Rwork	0.215
R-free	0.27500
Structure solution method	ISOMORPHOUS MOLECULAR REPLACEMENT
Starting model (for MR)	1aay WITHOUT WATERS AND WITHOUT SIDE CHAINS FOR RESIDUES 18 - 24
RMSD bond length	0.010 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.034 *	0.170 *
Total number of observations	36356 *
Number of reflections	11768
<I/σ(I)>	33.6	3.7
Completeness [%]	91.8	53.5
Redundancy	3.1	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		25% PEG 1450, 200 MM NACL, 25 MM BIS-TRIS PROPANE PH 8.0, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	NACL
3	1	1	BIS-TRIS PROPANE
4	1	1	PRECIPITATING SOLUTION
5	1	2	WATER
6	1	2	NACL
7	1	2	BIS-TRIS PROPANE
8	1	2	PEG 1450

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	zinc-finger-DNA complex	0.5 (mM)
2	1	drop		200 (mM)
3	1	drop	Bis-Tris propane	50 (mM)
4	1	drop	PEG1450	12.5 (%)
5	1	drop	BTP	12.5 (mM)
6	1	reservoir	PEG1450	25 (%)
7	1	reservoir		200 (mM)
8	1	reservoir	BTP	25 (mM)