1A1J

RADR (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	1995-12-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	42.300, 55.900, 133.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.21
Rwork	0.210
R-free	0.26200
Structure solution method	ISOMORPHOUS MOLECULAR REPLACEMENT
Starting model (for MR)	1aay WITHOUT WATERS AND WITHOUT SIDE CHAINS FOR RESIDUES 18 - 24
RMSD bond length	0.008
RMSD bond angle	23.200 *
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	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.034 *	0.054 *
Total number of observations	29842 *
Number of reflections	9959
<I/σ(I)>	39.5	19.4
Completeness [%]	89.6	82.9
Redundancy	3.0 *	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2		35% PEG 3350, 200MM 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	0.5 (mM)
2	1	drop		250 (mM)
3	1	drop	MES	75 (mM)
4	1	drop	PEG3350	17.5 (%)
5	1	reservoir	PEG3350	35 (%)
6	1	reservoir		200 (mM)
7	1	reservoir	MES	75 (mM)