1A1I

RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCAC SITE)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	1995-07-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	43.200, 56.300, 133.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.194 *
Rwork	0.191
R-free	0.21600
Structure solution method	ISOMORPHOUS MOLECULAR REPLACEMENT
Starting model (for MR)	1aay WITHOUT WATERS AND WITHOUT SIDE CHAINS FOR RESIDUES 18 - 24
RMSD bond length	0.004
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.049 *	0.109 *
Total number of observations	45579 *
Number of reflections	21212
<I/σ(I)>	27.8	9.2
Completeness [%]	96.4	89.9
Redundancy	2.1	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2		22.5% PEG 3350, 500MM NACL, 25 MM MES PH 6.2, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	NACL
2	1	1	MES
3	1	1	PEG 3350
4	1	2	NACL
5	1	2	MES
6	1	2	PEG 3350

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	zinc-finger-DNA complex	0.67 (mM)
2	1	drop		566.7 (mM)
3	1	drop	MES	58.3 (mM)
4	1	drop	PEG3350	7.5 (%)
5	1	reservoir	PEG3350	22.5 (%)
6	1	reservoir		50 (mM)
7	1	reservoir	MES	25 (mM)