1A1L

ZIF268 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	43.300, 55.900, 132.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.204 *
Rwork	0.196
R-free	0.26700
Structure solution method	ISOMORPHOUS MOLECULAR REPLACEMENT
Starting model (for MR)	1aay WITHOUT WATERS AND WITHOUT SIDE CHAINS FOR RESIDUES 18 - 24
RMSD bond length	0.007
RMSD bond angle	24.000 *
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	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.055 *	0.127 *
Total number of observations	28164 *
Number of reflections	6831
<I/σ(I)>	26.6	7.6
Completeness [%]	91.2	65.2
Redundancy	4.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		35% PEG 1450, 300MM 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	NACL
2	1	1	BTP
3	1	1	PEG 1450
4	1	2	NACL
5	1	2	BTP
6	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		350 (mM)
3	1	drop	BTP	62.5 (mM)
4	1	drop	PEG1450	17.5 (%)
5	1	reservoir	PEG1450	35 (%)
6	1	reservoir		300 (mM)
7	1	reservoir	BTP	25 (mM)