1FYL

SERENDIPITOUS CRYSTAL STRUCTURE CONTAINING THE HEAT SHOCK TRANSCRIPTION FACTOR'S DNA BINDING DOMAIN AND COGNATE DNA IN A HEAD-TO-HEAD ORIENTATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-01-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	105.140, 33.730, 77.840
Unit cell angles	90.00, 118.35, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.213 *
Rwork	0.213
R-free	0.30000
RMSD bond length	0.009
RMSD bond angle	1.364
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.054	0.164
Number of reflections	12494
<I/σ(I)>	7
Completeness [%]	87.0	74.4
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	18 *	PEG 4000, Cacodylate, Ammonium Acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 4000
2	1	1	Cacodylate
3	1	1	Ammonium Acetate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25-30 (%)
2	1	reservoir	cacodylate	50 (mM)
3	1	reservoir	ammonium acetate	275 (mM)
4	1	drop	protein	0.91 (mM)
5	1	drop	DNA	0.69 (mM)
6	1	drop	Tris	10 (mM)
7	1	drop		50 (mM)
8	1	drop	ammonium acetate	400 (mM)